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href="//files.rcsb.org/download/5JZY-sf.cif">Structure Factors (CIF)</a></li><li><a href="//files.rcsb.org/download/5JZY-sf.cif.gz">Structure Factors (CIF - gz)</a></li><li class="filedivider"></li><li><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_full_validation.pdf">Validation Full PDF</a></li><li><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_validation.xml.gz">Validation (XML - gz)</a></li><li><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_validation.cif.gz">Validation (CIF - gz)</a></li><li><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_validation_2fo-fc_map_coef.cif.gz">Validation 2fo-fc coefficients (CIF - gz)</a></li><li><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_validation_fo-fc_map_coef.cif.gz">Validation fo-fc coefficients 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class="btn btn-sm btn-default"><span class="glyphicon glyphicon-cog"></span> Data API  </button></a></div></div><h1><div class="results-content-type experimental"><span class="fa fa-flask" data-toggle="tooltip" data-placement="top" data-original-title="Experimental PDB Structure"></span></div><span id="structureID"> 5JZY</span></h1><h4><span id="structureTitle">Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide</span></h4><ul class="list-inline"><li id="header_doi"><strong>PDB DOI:&nbsp</strong><a href="https://doi.org/10.2210/pdb5JZY/pdb" target="_blank" rel="noopener">https://doi.org/10.2210/pdb5JZY/pdb</a></li></ul><ul class="list-unstyled"><li id="header_classification"><strong>Classification:&nbsp<a href="/search?q=struct_keywords.pdbx_keywords:HYDROLASE" onClick="sendGtag("title_section", "ssp_search_link", "classification")">HYDROLASE</a></strong></li><li id="header_organism"><strong>Organism(s):&nbsp</strong><a href="/search?q=rcsb_entity_source_organism.taxonomy_lineage.name:Homo sapiens" onClick="sendGtag("title_section", "ssp_search_link", "organism")">Homo sapiens</a>, <a href="/search?q=rcsb_entity_source_organism.taxonomy_lineage.name:Hirudo medicinalis" onClick="sendGtag("title_section", "ssp_search_link", "organism")">Hirudo medicinalis</a></li><li id="header_mutation"><strong>Mutation(s):&nbsp</strong>No&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="right" data-original-title="Indicates sequence mutations."></span></li><br><li id="header_deposited-released-dates"><strong>Deposited:&nbsp</strong>2016-05-17&nbsp<strong>Released:&nbsp</strong>2017-06-07&nbsp</li><li id="header_deposition-authors"><strong>Deposition Author(s):&nbsp</strong><a href="/search?q=audit_author.name:Sandner, A." onClick="sendGtag("title_section", "ssp_search_link", "depAuthor")">Sandner, A.</a>, <a href="/search?q=audit_author.name:Heine, A." onClick="sendGtag("title_section", "ssp_search_link", "depAuthor")">Heine, A.</a>, <a href="/search?q=audit_author.name:Klebe, G." onClick="sendGtag("title_section", "ssp_search_link", "depAuthor")">Klebe, G.</a></li></ul><hr><div class="row"><div class="col-sm-5 col-xs-12" id="header_experimentalDataSnapshot"><p><strong>Experimental Data Snapshot</strong></p><ul class="list-unstyled" id="exp_header_0_snapshot"><li id="exp_header_0_method"><strong>Method:&nbsp</strong>X-RAY DIFFRACTION</li><li id="exp_header_0_diffraction_resolution"><strong>Resolution:&nbsp</strong>1.27 Å</li><li id="exp_header_0_diffraction_rvalueFree"><strong>R-Value Free:&nbsp</strong>0.142&nbsp</li><li id="exp_header_0_diffraction_rvalueWork"><strong>R-Value Work:&nbsp</strong>0.120&nbsp</li><li id="exp_header_0_diffraction_rvalueObserved"><strong>R-Value Observed:&nbsp</strong>0.121&nbsp </li></ul><p> <strong>Starting Model: </strong>experimental<br><a href="/experimental/5JZY#starting-model">View more details</a></p></div><div class="col-sm-7 col-xs-12"><style>div.validation-slider { border: 1px solid #ddd; padding: 5px; } div.validation-slider img { max-width: 100%; } </style><p><strong>wwPDB Validation</strong>&nbsp <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="right" data-original-title="For each metric, two values are noted, one for the percentile rank of the entry compared to the entire PDB archive and one compared with entries determined with the same experimental method. The blue side of the scale is considered "better" than those on the "worse" red side."> </span><span class="pull-right"><a class="btn btn-default btn-xs" href="/3d-view/5JZY?preset=validationReport"><i class="fa fa-cube">&nbsp</i>3D Report</a>&nbsp<a class="btn btn-default btn-xs" target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_full_validation.pdf">Full Report</a></span></p><div class="validation-slider"><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_full_validation.pdf"><img src="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_multipercentile_validation.png" width="500"></a></div><script src="/js/raphael.min.js"></script><style>div#ligand-validation-container-1, div#ligand-validation-container-2 { border: 1px solid #ddd; } div#ligand-validation-container-2 { width: 500px; } svg { vertical-align: top; } /* see https://stackoverflow.com/questions/22337292/spurious-margin-on-svg-element */ .ligand-validation span.glyphicon { font-size: 14px; } </style><br><p class="ligand-validation"><strong>Ligand Structure Quality Assessment</strong>&nbsp<span class="glyphicon glyphicon-info-sign" data-toggle="tooltip" data-placement="left" data-original-title="Click on a bar to see detailed information about the ligand structure goodness of fit to experimental data for each ligand of interest in 5JZY"></span></p><div id="ligand-validation-container-1"></div><script>var LigandValidation = { draw: function(n) { var p = Raphael('ligand-validation-container-' + n) , data = [{"id":"6OV","fit":0.9504},{"id":"NAG","fit":0.3201}] , entryId = '5JZY' , tooltips = [] , w = 600 // container w, h , h = 80 , gw = 400 // gradient bar w, h, x, y , gh = 16 , gx = (w - gw) / 2 , gy = (h - gh) / 2 - 8 , lbw = 8 // ligand bar w, h, y , lbh = 28 , lby = (h - lbh) / 2 - 8 , tw = 200 // tooltip w, h, y , th = 75 , ty = (h - th) / 2 , gradient = { fill: '0-#f00-#f9f0f9:50-#00f', 'stroke-width': 0 } // horizontal gradient , ligandRect = { fill: '#337ab7', 'stroke-width': 0, cursor: 'pointer' } // instance bar , tooltipPathAttr = { fill: '#fff', stroke: '#333', 'stroke-width': 1 } , fontsize = (n === 1) ? 18 : 16 , font = { 'font-size': fontsize, fill: '#333' } , caption = 'Ligand structure goodness of fit to experimental data' , tooltipMsg = 'Click on this vertical\nbar to view details' , sp = ' ' p.setViewBox(0, 0, w, h, true) p.setSize('100%', '100%') // horizontal gradient p.rect(gx, gy, gw, gh).attr(gradient) // labels p.text(gx - 40, gy + 8, 'Worse 0').attr(font) p.text(gx + gw + 35, gy + 8, '1 Better').attr(font) // caption p.text(w / 2, 65, caption).attr(font) for (let i = 0; i < data.length; i++) { var id = data[i].id , fit = data[i].fit , x = gx + fit * gw // ligand bar var el = p.rect(x - 4, lby, lbw, lbh).attr(ligandRect).hover( function() { tooltips[i].show() }, function() { tooltips[i].hide() }) el.node.onclick = function(e) { window.location.href = '/ligand-validation/' + entryId + '/' + data[i].id } /* tooltip path - see https://dmitrybaranovskiy.github.io/raphael/reference.html#Paper.path M moveto (x y)+ Z closepath (none) L lineto (x y)+ e.g. var c = paper.path("M10 10L90 90"); */ var path = '' if (fit >= 0.5) { var tx = x - tw - 16 // draw tooltip to the left of the ligand bar path += 'M' + tx + sp + ty path += 'L' + (tx + tw) + sp + ty // right arrow path += 'L' + (tx + tw) + sp + (ty + 22) path += 'L' + (tx + tw + 6) + sp + Math.round(ty + th / 2 - 8) path += 'L' + (tx + tw) + sp + (ty + th - 38) path += 'L' + (tx + tw) + sp + (ty + th) path += 'L' + tx + sp + (ty + th) path += 'Z' } else { var tx = x + 16 // draw tooltip to the right of the ligand bar path += 'M' + tx + sp + ty path += 'L' + (tx + tw) + sp + ty path += 'L' + (tx + tw) + sp + (ty + th) path += 'L' + tx + sp + (ty + th) // left arrow path += 'L' + tx + sp + (ty + th - 38) path += 'L' + (tx - 8) + sp + Math.round(ty + th / 2 - 8) path += 'L' + tx + sp + (ty + 22) path += 'Z' } var tooltipPath = p.path(path).attr(tooltipPathAttr).translate(0.5, 0.5) // see https://stackoverflow.com/questions/8036519/line-width-in-raphaeljs/8058324 var tooltipText = p.text(tx + tw / 2, ty + th / 2 + 2, 'Best fitted ' + id + '\n' + tooltipMsg).attr(font) tooltips[i] = p.set([ tooltipPath, tooltipText ]) tooltips[i].hide() } for (var i = 0; i < tooltips.length; i++) tooltips[i].toFront() // send tooltips to front } } LigandValidation.draw(1)</script></div></div><br><div class="row"><div class="col-lg-12 col-md-12 col-sm-12 col-xs-12" id="currentVersionSection"><div class="well well-sm well-nomar">This is version 1.4 of the entry. See complete&nbsp<a href="/versions/5JZY">history</a>.&nbsp</div><br></div></div><br><div class="row"><div class="col-lg-12 col-md-12 col-sm-12 col-xs-12"><div class="panel panel-default" id="literaturepanel"><div class="panel-heading"><div class="panel-title">Literature<div class="btn-group pull-right"><button class="btn btn-default btn-xs hidden-print dropdown-toggle" type="button" data-toggle="dropdown" aria-expanded="false">Download Primary Citation&nbsp<span class="caret"></span></button><ul class="dropdown-menu DropdownChangeGallery" role="menu"><li><a href="javascript:document.getElementsByTagName('body')[0].appendChild(document.createElement('script')).setAttribute('src','https://www.mendeley.com/minified/bookmarklet.js');"><img src="//cdn.rcsb.org/rcsb-pdb/explorer/SSPv2/images/MendeleyIcon.png" width="16">&nbspDownload Mendeley</a></li></ul></div></div></div><div class="panel-body"><div id="primarycitation"><h4>Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.</h4><a class="querySearchLink" href="/search?q=citation.rcsb_authors:Sandner, A." onClick="sendGtag("literature_section", "ssp_search_link", "pubAuthor")">Sandner, A.</a>,&nbsp<a class="querySearchLink" href="/search?q=citation.rcsb_authors:Hufner-Wulsdorf, T." onClick="sendGtag("literature_section", "ssp_search_link", "pubAuthor")">Hufner-Wulsdorf, T.</a>,&nbsp<a class="querySearchLink" href="/search?q=citation.rcsb_authors:Heine, A." onClick="sendGtag("literature_section", "ssp_search_link", "pubAuthor")">Heine, A.</a>,&nbsp<a class="querySearchLink" href="/search?q=citation.rcsb_authors:Steinmetzer, T." onClick="sendGtag("literature_section", "ssp_search_link", "pubAuthor")">Steinmetzer, T.</a>,&nbsp<a class="querySearchLink" href="/search?q=citation.rcsb_authors:Klebe, G." onClick="sendGtag("literature_section", "ssp_search_link", "pubAuthor")">Klebe, G.</a><br><p>(2019) J Med Chem&nbsp<strong>62</strong>: 9753-9771</p><ul class="list-unstyled"><li id="pubmedLinks"><strong>PubMed</strong>:&nbsp<a class="querySearchLink" href="/search?q=rcsb_pubmed_container_identifiers.pubmed_id:31633354" onClick="sendGtag("literature_section", "ssp_search_link", "pubmedId")">31633354</a>&nbsp<span class="label label-external hidden-print"><a href="http://www.ncbi.nlm.nih.gov/pubmed/?term=31633354" target="_blank" rel="noopener">Search on PubMed</a></span></li><li id="pubmedDOI"><strong>DOI:&nbsp</strong><a href="https://doi.org/10.1021/acs.jmedchem.9b01196" target="_blank" rel="noopener">https://doi.org/10.1021/acs.jmedchem.9b01196</a></li><li id="citationPrimaryRelatedStructures" style="word-wrap:break-word;">Primary Citation of Related Structures: &nbsp<br><a href="/structure/5JFD">5JFD</a>, <a href="/structure/5JZY">5JZY</a>, <a href="/structure/5LCE">5LCE</a>, <a href="/structure/5LPD">5LPD</a>, <a href="/structure/6GBW">6GBW</a>, <a href="/structure/6ROT">6ROT</a></li><br><li id="pubmedAbstractText"><strong>PubMed Abstract:&nbsp</strong><br><div class="abstract" id="abstract"><p>Structural fixation of a ligand in its bioactive conformation may, due to entropic reasons, improve affinity. We present a congeneric series of thrombin ligands with a variety of functional groups triggering preorganization prior to binding. Fixation in solution and complex formation have been characterized by crystallography, isothermal titration calorimetry (ITC), and molecular dynamics (MD) simulations. First, we show why these preorganizing modifications do not affect the overall binding mode and how key interactions are preserved. Next, we demonstrate how preorganization thermodynamics can be largely dominated by enthalpy rather than entropy because of the significant population of low-energy conformations. Furthermore, a salt bridge is shielded by actively reducing its surface exposure, thus leading to an enhanced enthalpic binding profile. Our results suggest that the consideration of the ligand solution ensemble by MD simulation is necessary to predict preorganizing modifications that enhance the binding behavior of already promising binders.</p></div><button class="btn btn-default btn-xs" onclick="toggleAbstract()" id="toggleBtn" style="margin-top: 3px"><span class="glyphicon glyphicon-plus-sign"></span>&nbspView More</button></li><hr><strong>Organizational Affiliation</strong>:&nbsp<p>Institut für Pharmazeutische Chemie , Philipps-Universität Marburg , Marbacher Weg 6 , 35032 Marburg , Germany.</p></ul></div></div></div></div></div></div><div class="col-md-4 col-sm-12 col-xs-12"><script>// Used for Transmembrane Image Carousel var structureFirstLigand = "6OV"; var finalImageCount = 1; var isNMR = false; var modelCount = 1 var assemblies = ["1"]</script><div class="panel panel-default" id="galleryimagepanel"><div class="panel-body" id="structureimagesection"><div class="carousel slide" id="carousel-structuregallery" data-ride="carousel" data-interval="false"><div class="carousel-inner" role="listbox"><div class="item imageCarouselItem" id="Carousel-BiologicalUnit0"><div class="carousel-header">Asymmetric Unit</div><div class="clearfix"></div><img class="img-responsive center-block mainImage" src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" style="image-rendering: -webkit-optimize-contrast;"><a class="btn btn-default btn-xs btn-enlargeImage" type="button" data-toggle="lightbox" data-gallery="multiimages0" href="#" data-title=""><span class="glyphicon glyphicon-resize-full" aria-hidden="true"></span></a><div class="galleryNewImages" id="AssemblyNewImage0"></div><div class="clearfix"></div><div class="carousel-footer"><p><assemblyid class="fa fa-cube">&nbsp</assemblyid><strong>Explore in 3D</strong>:&nbsp<a href="/3d-view/5JZY/0">Structure</a> | <a href="/3d-sequence/5JZY?assemblyId=0">Sequence Annotations</a> | <span class="propernoun"><a href="/3d-view/5JZY?preset=electronDensityMaps">Electron Density</a></span> | <span class="propernoun"><a href="/3d-view/5JZY?preset=validationReport">Validation Report</a></span> | <span class="propernoun"><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=K">Ligand Interaction</a> (6OV)</span></p></div></div><div class="item imageCarouselItem" id="Carousel-BiologicalUnit1"><div class="carousel-header">Biological Assembly 1 &nbsp<a class="hidden-xs hidden-sm hidden-md icon-link" href="/docs/general-help/computed-structure-models-and-rcsborg#models-and-assembly"><span class="glyphicon glyphicon-question-sign" aria-hidden="true"></span></a></div><div class="clearfix"></div><img class="img-responsive center-block mainImage" src="data:image/gif;base64,R0lGODlhAQABAAD/ACwAAAAAAQABAAACADs=" style="image-rendering: -webkit-optimize-contrast;"><a class="btn btn-default btn-xs btn-enlargeImage" type="button" data-toggle="lightbox" data-gallery="multiimages1" href="#" data-title=""><span class="glyphicon glyphicon-resize-full" aria-hidden="true"></span></a><div class="galleryNewImages" id="AssemblyNewImage1"></div><div class="clearfix"></div><div class="carousel-footer"><p><assemblyid class="fa fa-cube">&nbsp</assemblyid><strong>Explore in 3D</strong>:&nbsp<a href="/3d-view/5JZY/1">Structure</a> | <a href="/3d-sequence/5JZY?assemblyId=1">Sequence Annotations</a> | <span class="propernoun"><a href="/3d-view/5JZY?preset=electronDensityMaps">Electron Density</a></span> | <span class="propernoun"><a href="/3d-view/5JZY?preset=validationReport">Validation Report</a></span> | <span class="propernoun"><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=K">Ligand Interaction</a> (6OV)</span></p><hr><strong>Global Symmetry</strong>: Asymmetric - C1 <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Point group symmetry for the biological assembly. Chains are considered equivalent when their sequence identities are above 95%."></span><br><strong>Global Stoichiometry</strong>: Hetero 3-mer - <span style="word-wrap:break-word;">A1B1C1 </span><span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Chains with length below 5 residues or relatively short with respect to other chains are excluded from the stoichiometry and symmetry calculation."></span><div class="hidden-print" id="symmetryPart"></div><div class="hidden-print hide" id="symmetryFull"><br><button class="btn btn-default btn-xs hidden-print" id="full_symmetry_hide"><span class="glyphicon glyphicon-minus-sign"></span> Less</button></div><hr><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22structure%22%2C%22parameters%22%3A%7B%22value%22%3A%7B%22entry_id%22%3A%225JZY%22%2C%22assembly_id%22%3A%221%22%7D%7D%7D&return_type=assembly" onClick="sendGtag("imageGallery_section", "ssp_search_link", "findSimilarAssemblies")">Find Similar Assemblies</a><hr><p>Biological assembly 1 assigned by authors and generated by PISA (software)</p></div></div><a class="left carousel-control" href="#carousel-structuregallery" role="button" data-slide="prev"><span class="glyphicon glyphicon-chevron-left" aria-hidden="true"></span><span class="sr-only">Previous</span></a><a class="right carousel-control" href="#carousel-structuregallery" role="button" data-slide="next"><span class="glyphicon glyphicon-chevron-right" aria-hidden="true"></span><span class="sr-only">Next</span></a></div></div></div></div><div class="well well-sm hidden-sm hidden-xs well-nomar" id="macromoleculeContent"><p><strong>Macromolecule Content</strong></p><ul><li id="contentStructureWeight">Total Structure Weight: 36.42 kDa&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Molecular weight (in kDa) of all non-water atoms in the deposited model, based on the full deposited sample sequence. Hydrogen atoms are included for the charged state in ARG, HIS & LYS residues."></span></li><li id="contentAtomSiteCount">Atom Count: 2,881&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Number of modeled non-hydrogen atoms in the deposited model."></span></li><li id="contentResidueCount">Modelled Residue Count: 291&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Number of modeled polymer monomers in the deposited model."></span></li><li id="contentResidueCount">Deposited Residue Count: 307&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Number of all (modeled or unmodeled) polymer monomers in the deposited model."></span></li><li id="contentProteinChainCount">Unique protein chains: 3</li></ul></div></div></div><br></div><div class="panel panel-default" id="macromoleculespanel"><div class="panel-heading"><div class="panel-title">Macromolecules</div></div><div class="panel-body"><div class="row"><div class="col-md-12 col-sm-12 col-xs-12"><div id="MacromoleculeTable"><div style="display: flow-root; margin-bottom: 5px;">Find similar proteins by: <div class="btn-group" role="group"><button class="btn-group btn btn-sm btn-default dropdown-toggle" id="dropdownCutOff" type="button" data-toggle="dropdown" aria-expanded="false" role="group" style="color: #337ab7; text-decoration: none;">Sequence <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownCutOff"><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A1%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">100%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.95%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">95%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.9%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">90%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.8%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">80%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.7%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">70%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.6%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">60%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.5%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">50%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.4%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">40%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR%22%2C%22identity_cutoff%22%3A0.3%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">30%</a></li></ul></div> (by identity cutoff)  |  <a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22structure%22%2C%22parameters%22%3A%7B%22value%22%3A%7B%22entry_id%22%3A%225JZY%22%2C%22asym_id%22%3A%22A%22%7D%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBy3Dstructure")">3D Structure</a></div><div class="table-responsive"><a class="entity-anchor" name="entity-1"></a><table class="table table-bordered table-condensed tableEntity" id="table_macromolecule-protein-entityId-1"><tbody><tr class="info" style="color: #315880"><th colspan="6" style="padding-bottom: 0px; padding-top: 0px"><h5 style="font-weight: bold; font-size: 15px">Entity ID: 1</h5></th></tr><tr><th class="col-sm-2 col-lg-2 pad-by-five">Molecule</th><th class="col-sm-2 col-lg-2 pad-by-five">Chains <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="If the two PDB chain IDs (label_asym_id; assigned by the PDB) and auth_asym_id (selected by the author) do not coincide, the chain ID is displayed as “label_asym_id [auth auth_asym_id]”"></span></th><th class="col-sm-2 col-lg-2 pad-by-five">Sequence Length</th><th class="col-sm-2 col-lg-2 pad-by-five">Organism</th><th class="col-sm-2 col-lg-2 pad-by-five">Details</th><th class="col-sm-2 col-lg-2 pad-by-five">Image</th></tr><tr id="macromolecule-entityId-1-rowDescription"><td>Prothrombin</td><td style="width:200px;"><a href="/sequence/5JZY#A">A [auth L]</a></td><td>36</td><td><a class="querySearchLink" href="/search?q=rcsb_entity_source_organism.taxonomy_lineage.name:Homo sapiens" onClick="sendGtag("macromolecule_section", "ssp_search_link", "organism")">Homo sapiens</a></td><td style="word-break: break-all;"><strong>Mutation(s)</strong>: 0&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="The number of mutations in this polymer sequence that are engineered from the reference sequence."></span><br><strong>EC:&nbsp</strong><a class="querySearchLink" href="/search?q=rcsb_polymer_entity.rcsb_ec_lineage.id:3.4.21.5" onClick="sendGtag("macromolecule_section", "ssp_search_link", "ec")">3.4.21.5</a><br></td><td style="text-align: center; vertical-align: middle"><a data-toggle="lightbox" data-title="5JZY_1: Represented by Chain A" href="https://cdn.rcsb.org/images/structures/5jzy_chain-A.jpeg"><img src="https://cdn.rcsb.org/images/structures/5jzy_chain-A.jpeg" style="width:100px;"></a></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px">UniProt & NIH Common Fund Data Resources</h5></td></tr><tr><td colspan="6"><div class="col-lg-6 col-md-6 text-left" style="padding-left: 0">Find proteins for&nbsp<a class="querySearchLink" href="/search?q=rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession:P00734 AND rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name:UniProt" onClick="sendGtag("macromolecule_section", "ssp_search_link", "uniprotId")">P00734</a>&nbsp<i>(Homo sapiens)</i></div><div class="col-lg-3 col-md-3">Explore&nbsp<span class="label label-rcsb"><a href="/groups/sequence/polymer_entity/P00734">P00734</a></span>&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Explore entries with the same UniProt reference sequence."></span></div><div class="col-lg-3 col-md-3 text-right" style="padding-right: 0">Go to UniProtKB: &nbsp<span class="label label-external"><a href="https://www.uniprot.org/uniprot/P00734" target="_blank" rel="noopener">P00734</a></span></div></td></tr><tr><td colspan="6"><div class="col-lg-4 col-md-4 text-left" style="padding-left: 0" title="Diseases, drugs and related data"><span>PHAROS: &nbsp<span class="label label-external"><a href="https://pharos.nih.gov/targets/P00734" target="_blank" rel="noopener" onClick="sendGtag("SSP", "NIH", "PHAROS")">P00734</a></span><break></break></span></div><div class="col-lg-4 col-md-4"><span>GTEx: &nbsp<span class="label label-external"><a href="https://gtexportal.org/home/gene/ENSG00000180210" target="_blank" rel="noopener" onClick="sendGtag("SSP", "NIH", "GTEx")">ENSG00000180210</a></span>&nbsp<break></break></span></div><div class="col-lg-4 col-md-4 text-right" style="padding-right: 0"></div></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px">Entity Groups &nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="This entity has been grouped together with similar entities from other structures. Use the links below to navigate to the corresponding group pages and explore the characteristics of similar entities." style="vertical-align: bottom;"></span></h5></td></tr><tr><td class="col-lg-2 col-md-2">Sequence Clusters</td><td class="col-lg-10 col-md-10 group-membership" colspan="5"><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/443_30">30% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/197_50">50% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/118_70">70% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/112_90">90% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/103_95">95% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/65_100">100% Identity<span class="fa fa-clone"></span></a></span></td></tr><tr><td class="col-lg-2 col-md-2">UniProt Group</td><td class="col-lg-10 col-md-10 group-membership" colspan="5"><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/P00734">P00734<span class="fa fa-clone"></span></a></span></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px; display:inline-block;float:left">Sequence Annotations</h5><h5 style="font-weight: bold; font-size: 15px; display:inline-block;float:right;"><a href="/sequence/5JZY#A">Expand</a></h5></td></tr><tr style="border-bottom: 5px solid #ddd" id="RcsbFv"><td class="ProteinFeatureView" colspan="6"><div id="entity" style="margin-top:20px"><div class="col-xs-12 col-sm-12 col-md-4 col-lg-4 form-group" style="margin-bottom: 0; padding-left: 0"><ul class="list-group" style="margin-bottom:0;display:inline-block;width:50%;"><li class="list-group-item" style="border-color:#fff;"><strong>Reference Sequence</strong></li></ul><div id="rcsbWebAppSelect_1" style="display:inline-block;"></div><div class="material-switch pull-right"></div></div></div><div class="clearfix"></div><div id="rcsbWebApp_1" style="margin-bottom: 50px;"></div><script>var headers = { "Rcsb-Analytics-Traffic-Origin": "internal", "Rcsb-Analytics-Traffic-Stage": "saguaro" }; [window.RcsbFvWebApp, window.RcsbChartWebApp, window.RcsbFv3D].forEach(webApp=>{ if (webApp) { webApp.RcsbRequestContextManager.initializeBorregoClient({ api: RC.sequenceCoordinatesUrl + 'graphql', requestConfig: { headers } }); webApp.RcsbRequestContextManager.initializeYosemiteClient({ api: RC.dataUrl + 'graphql', requestConfig: { headers } }); webApp.RcsbRequestContextManager.initializeArchesClient({ uri: RC.searchUrl + 'query', requestConfig: { headers } }); } });</script><script>setTimeout(function(){ RcsbFvWebApp.buildEntitySummaryFv( "rcsbWebApp_1", "rcsbWebAppSelect_1", "5JZY_1" ); },100) </script></td></tr></tbody></table></div><div style="display: flow-root; margin-bottom: 5px;">Find similar proteins by: <div class="btn-group" role="group"><button class="btn-group btn btn-sm btn-default dropdown-toggle" id="dropdownCutOff" type="button" data-toggle="dropdown" aria-expanded="false" role="group" style="color: #337ab7; text-decoration: none;">Sequence <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownCutOff"><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A1%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">100%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.95%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">95%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.9%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">90%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.8%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">80%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.7%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">70%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.6%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">60%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.5%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">50%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.4%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">40%</a></li><li><a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22sequence%22%2C%22parameters%22%3A%7B%22target%22%3A%22pdb_protein_sequence%22%2C%22value%22%3A%22IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE%22%2C%22identity_cutoff%22%3A0.3%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBySequenceCutoff")">30%</a></li></ul></div> (by identity cutoff)  |  <a href="/search?query=%7B%22type%22%3A%22terminal%22%2C%22service%22%3A%22structure%22%2C%22parameters%22%3A%7B%22value%22%3A%7B%22entry_id%22%3A%225JZY%22%2C%22asym_id%22%3A%22B%22%7D%7D%7D&return_type=polymer_entity" onClick="sendGtag("macromolecule_section", "ssp_search_link", "proteinBy3Dstructure")">3D Structure</a></div><div class="table-responsive"><a class="entity-anchor" name="entity-2"></a><table class="table table-bordered table-condensed tableEntity" id="table_macromolecule-protein-entityId-2"><tbody><tr class="info" style="color: #315880"><th colspan="6" style="padding-bottom: 0px; padding-top: 0px"><h5 style="font-weight: bold; font-size: 15px">Entity ID: 2</h5></th></tr><tr><th class="col-sm-2 col-lg-2 pad-by-five">Molecule</th><th class="col-sm-2 col-lg-2 pad-by-five">Chains <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="If the two PDB chain IDs (label_asym_id; assigned by the PDB) and auth_asym_id (selected by the author) do not coincide, the chain ID is displayed as “label_asym_id [auth auth_asym_id]”"></span></th><th class="col-sm-2 col-lg-2 pad-by-five">Sequence Length</th><th class="col-sm-2 col-lg-2 pad-by-five">Organism</th><th class="col-sm-2 col-lg-2 pad-by-five">Details</th><th class="col-sm-2 col-lg-2 pad-by-five">Image</th></tr><tr id="macromolecule-entityId-2-rowDescription"><td>Prothrombin</td><td style="width:200px;"><a href="/sequence/5JZY#B">B [auth H]</a></td><td>259</td><td><a class="querySearchLink" href="/search?q=rcsb_entity_source_organism.taxonomy_lineage.name:Homo sapiens" onClick="sendGtag("macromolecule_section", "ssp_search_link", "organism")">Homo sapiens</a></td><td style="word-break: break-all;"><strong>Mutation(s)</strong>: 0&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="The number of mutations in this polymer sequence that are engineered from the reference sequence."></span><br><strong>EC:&nbsp</strong><a class="querySearchLink" href="/search?q=rcsb_polymer_entity.rcsb_ec_lineage.id:3.4.21.5" onClick="sendGtag("macromolecule_section", "ssp_search_link", "ec")">3.4.21.5</a><br></td><td style="text-align: center; vertical-align: middle"><a data-toggle="lightbox" data-title="5JZY_2: Represented by Chain B" href="https://cdn.rcsb.org/images/structures/5jzy_chain-B.jpeg"><img src="https://cdn.rcsb.org/images/structures/5jzy_chain-B.jpeg" style="width:100px;"></a></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px">UniProt & NIH Common Fund Data Resources</h5></td></tr><tr><td colspan="6"><div class="col-lg-6 col-md-6 text-left" style="padding-left: 0">Find proteins for&nbsp<a class="querySearchLink" href="/search?q=rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession:P00734 AND rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name:UniProt" onClick="sendGtag("macromolecule_section", "ssp_search_link", "uniprotId")">P00734</a>&nbsp<i>(Homo sapiens)</i></div><div class="col-lg-3 col-md-3">Explore&nbsp<span class="label label-rcsb"><a href="/groups/sequence/polymer_entity/P00734">P00734</a></span>&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Explore entries with the same UniProt reference sequence."></span></div><div class="col-lg-3 col-md-3 text-right" style="padding-right: 0">Go to UniProtKB: &nbsp<span class="label label-external"><a href="https://www.uniprot.org/uniprot/P00734" target="_blank" rel="noopener">P00734</a></span></div></td></tr><tr><td colspan="6"><div class="col-lg-4 col-md-4 text-left" style="padding-left: 0" title="Diseases, drugs and related data"><span>PHAROS: &nbsp<span class="label label-external"><a href="https://pharos.nih.gov/targets/P00734" target="_blank" rel="noopener" onClick="sendGtag("SSP", "NIH", "PHAROS")">P00734</a></span><break></break></span></div><div class="col-lg-4 col-md-4"><span>GTEx: &nbsp<span class="label label-external"><a href="https://gtexportal.org/home/gene/ENSG00000180210" target="_blank" rel="noopener" onClick="sendGtag("SSP", "NIH", "GTEx")">ENSG00000180210</a></span>&nbsp<break></break></span></div><div class="col-lg-4 col-md-4 text-right" style="padding-right: 0"></div></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px">Entity Groups &nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="This entity has been grouped together with similar entities from other structures. Use the links below to navigate to the corresponding group pages and explore the characteristics of similar entities." style="vertical-align: bottom;"></span></h5></td></tr><tr><td class="col-lg-2 col-md-2">Sequence Clusters</td><td class="col-lg-10 col-md-10 group-membership" colspan="5"><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/6_30">30% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/184_50">50% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/110_70">70% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/88_90">90% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/95_95">95% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/51_100">100% Identity<span class="fa fa-clone"></span></a></span></td></tr><tr><td class="col-lg-2 col-md-2">UniProt Group</td><td class="col-lg-10 col-md-10 group-membership" colspan="5"><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/P00734">P00734<span class="fa fa-clone"></span></a></span></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px; display:inline-block;float:left">Sequence Annotations</h5><h5 style="font-weight: bold; font-size: 15px; display:inline-block;float:right;"><a href="/sequence/5JZY#B">Expand</a></h5></td></tr><tr style="border-bottom: 5px solid #ddd" id="RcsbFv"><td class="ProteinFeatureView" colspan="6"><div id="entity" style="margin-top:20px"><div class="col-xs-12 col-sm-12 col-md-4 col-lg-4 form-group" style="margin-bottom: 0; padding-left: 0"><ul class="list-group" style="margin-bottom:0;display:inline-block;width:50%;"><li class="list-group-item" style="border-color:#fff;"><strong>Reference Sequence</strong></li></ul><div id="rcsbWebAppSelect_2" style="display:inline-block;"></div><div class="material-switch pull-right"></div></div></div><div class="clearfix"></div><div id="rcsbWebApp_2" style="margin-bottom: 50px;"></div><script>var headers = { "Rcsb-Analytics-Traffic-Origin": "internal", "Rcsb-Analytics-Traffic-Stage": "saguaro" }; [window.RcsbFvWebApp, window.RcsbChartWebApp, window.RcsbFv3D].forEach(webApp=>{ if (webApp) { webApp.RcsbRequestContextManager.initializeBorregoClient({ api: RC.sequenceCoordinatesUrl + 'graphql', requestConfig: { headers } }); webApp.RcsbRequestContextManager.initializeYosemiteClient({ api: RC.dataUrl + 'graphql', requestConfig: { headers } }); webApp.RcsbRequestContextManager.initializeArchesClient({ uri: RC.searchUrl + 'query', requestConfig: { headers } }); } });</script><script>setTimeout(function(){ RcsbFvWebApp.buildEntitySummaryFv( "rcsbWebApp_2", "rcsbWebAppSelect_2", "5JZY_2" ); },100) </script></td></tr></tbody></table></div><p class="text-muted">Find similar proteins by:  Sequence   |   3D Structure  <span class="fa fa-info-circle" aria-hidden="true" data-toggle="tooltip" data-placement="top" title="Sequence and structure search is not available for sequences with length less than or equal to 25"></span></p><div class="table-responsive"><a class="entity-anchor" name="entity-3"></a><table class="table table-bordered table-condensed tableEntity" id="table_macromolecule-protein-entityId-3"><tbody><tr class="info" style="color: #315880"><th colspan="6" style="padding-bottom: 0px; padding-top: 0px"><h5 style="font-weight: bold; font-size: 15px">Entity ID: 3</h5></th></tr><tr><th class="col-sm-2 col-lg-2 pad-by-five">Molecule</th><th class="col-sm-2 col-lg-2 pad-by-five">Chains <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="If the two PDB chain IDs (label_asym_id; assigned by the PDB) and auth_asym_id (selected by the author) do not coincide, the chain ID is displayed as “label_asym_id [auth auth_asym_id]”"></span></th><th class="col-sm-2 col-lg-2 pad-by-five">Sequence Length</th><th class="col-sm-2 col-lg-2 pad-by-five">Organism</th><th class="col-sm-2 col-lg-2 pad-by-five">Details</th><th class="col-sm-2 col-lg-2 pad-by-five">Image</th></tr><tr id="macromolecule-entityId-3-rowDescription"><td>Hirudin variant-2</td><td style="width:200px;"><a href="/sequence/5JZY#C">C [auth I]</a></td><td>12</td><td><a class="querySearchLink" href="/search?q=rcsb_entity_source_organism.taxonomy_lineage.name:Hirudo medicinalis" onClick="sendGtag("macromolecule_section", "ssp_search_link", "organism")">Hirudo medicinalis</a></td><td style="word-break: break-all;"><strong>Mutation(s)</strong>: 0&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="The number of mutations in this polymer sequence that are engineered from the reference sequence."></span><br></td><td style="text-align: center; vertical-align: middle"><a data-toggle="lightbox" data-title="5JZY_3: Represented by Chain C" href="https://cdn.rcsb.org/images/structures/5jzy_chain-C.jpeg"><img src="https://cdn.rcsb.org/images/structures/5jzy_chain-C.jpeg" style="width:100px;"></a></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px">UniProt</h5></td></tr><tr><td colspan="6"><div class="col-lg-6 col-md-6 text-left" style="padding-left: 0">Find proteins for&nbsp<a class="querySearchLink" href="/search?q=rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession:P09945 AND rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name:UniProt" onClick="sendGtag("macromolecule_section", "ssp_search_link", "uniprotId")">P09945</a>&nbsp<i>(Hirudo medicinalis)</i></div><div class="col-lg-3 col-md-3">Explore&nbsp<span class="label label-rcsb"><a href="/groups/sequence/polymer_entity/P09945">P09945</a></span>&nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="Explore entries with the same UniProt reference sequence."></span></div><div class="col-lg-3 col-md-3 text-right" style="padding-right: 0">Go to UniProtKB: &nbsp<span class="label label-external"><a href="https://www.uniprot.org/uniprot/P09945" target="_blank" rel="noopener">P09945</a></span></div></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px">Entity Groups &nbsp<span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="This entity has been grouped together with similar entities from other structures. Use the links below to navigate to the corresponding group pages and explore the characteristics of similar entities." style="vertical-align: bottom;"></span></h5></td></tr><tr><td class="col-lg-2 col-md-2">Sequence Clusters</td><td class="col-lg-10 col-md-10 group-membership" colspan="5"><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/3054_30">30% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/2357_50">50% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/1916_70">70% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/1226_90">90% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/1084_95">95% Identity<span class="fa fa-clone"></span></a></span><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/786_100">100% Identity<span class="fa fa-clone"></span></a></span></td></tr><tr><td class="col-lg-2 col-md-2">UniProt Group</td><td class="col-lg-10 col-md-10 group-membership" colspan="5"><span class="label label-rcsb"><a href="/groups/summary/polymer_entity/P09945">P09945<span class="fa fa-clone"></span></a></span></td></tr><tr><td colspan="6" style="padding-bottom: 0px; padding-top: 0px; background-color: #f5f5f5;"><h5 style="font-weight: bold; font-size: 15px; display:inline-block;float:left">Sequence Annotations</h5><h5 style="font-weight: bold; font-size: 15px; display:inline-block;float:right;"><a href="/sequence/5JZY#C">Expand</a></h5></td></tr><tr style="border-bottom: 5px solid #ddd" id="RcsbFv"><td class="ProteinFeatureView" colspan="6"><div id="entity" style="margin-top:20px"><div class="col-xs-12 col-sm-12 col-md-4 col-lg-4 form-group" style="margin-bottom: 0; padding-left: 0"><ul class="list-group" style="margin-bottom:0;display:inline-block;width:50%;"><li class="list-group-item" style="border-color:#fff;"><strong>Reference Sequence</strong></li></ul><div id="rcsbWebAppSelect_3" style="display:inline-block;"></div><div class="material-switch pull-right"></div></div></div><div class="clearfix"></div><div id="rcsbWebApp_3" style="margin-bottom: 50px;"></div><script>var headers = { "Rcsb-Analytics-Traffic-Origin": "internal", "Rcsb-Analytics-Traffic-Stage": "saguaro" }; [window.RcsbFvWebApp, window.RcsbChartWebApp, window.RcsbFv3D].forEach(webApp=>{ if (webApp) { webApp.RcsbRequestContextManager.initializeBorregoClient({ api: RC.sequenceCoordinatesUrl + 'graphql', requestConfig: { headers } }); webApp.RcsbRequestContextManager.initializeYosemiteClient({ api: RC.dataUrl + 'graphql', requestConfig: { headers } }); webApp.RcsbRequestContextManager.initializeArchesClient({ uri: RC.searchUrl + 'query', requestConfig: { headers } }); } });</script><script>setTimeout(function(){ RcsbFvWebApp.buildEntitySummaryFv( "rcsbWebApp_3", "rcsbWebAppSelect_3", "5JZY_3" ); },100) </script></td></tr></tbody></table></div></div></div></div></div></div><div class="panel panel-default" id="smallMoleculespanel"><div class="panel-heading"><div class="panel-title">Small Molecules</div></div><div class="panel-body"><div class="row"><div class="col-md-12 col-sm-12 col-xs-12"><div class="table-responsive" id="LigandsTable"><table class="table table-bordered table-condensed" id="LigandsMainTable"><tr class="active"><th colspan="6">Ligands&nbsp<span class="badge">5 Unique</span></th></tr><tr><th class="col-sm-2 col-lg-2 pad-by-five">ID</th><th class="col-sm-1 col-lg-1 pad-by-five">Chains <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="If the two PDB chain IDs (label_asym_id; assigned by the PDB) and auth_asym_id (selected by the author) do not coincide, the chain ID is displayed as “label_asym_id [auth auth_asym_id]”"></span></th><th class="col-sm-3 col-lg-4 pad-by-five">Name / Formula / InChI Key</th><th class="col-sm-3 col-lg-3 pad-by-five">2D Diagram</th><th class="col-sm-2 col-lg-2 pad-by-five">3D Interactions</th></tr><tbody><a name="chem-comp-6OV"></a><tr id="ligand_row_6OV"><td><a href="/ligand/6OV">6OV</a><br><a class="hidden-print querySearchLink" href="/search?q=rcsb_chem_comp_container_identifiers.comp_id:6OV" onClick="sendGtag("smallmoleculeLigand_section", "ssp_search_link", "ligandId")">Query on 6OV</a><br><hr><a class="btn btn-default btn-xs hidden-print" href="https://files.rcsb.org/ligands/download/6OV.cif">Download Ideal Coordinates CCD File&nbsp<span class="glyphicon glyphicon-download"></span></a><br><div style="display: list-item; margin-bottom: 5px;"><div class="btn-group" role="group" style="position: absolute"><button class="btn btn-xs btn-default dropdown-toggle" id="dropdownMenuDisplayCordinateFiles" type="button" data-toggle="dropdown" aria-expanded="false" role="group">Download Instance Coordinates <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuDisplayCordinateFiles"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=308&label_asym_id=K&encoding=sdf&filename=5jzy_K_6OV.sdf">SDF format, chain K [auth H]</a></li><li class="divider"></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=308&label_asym_id=K&encoding=mol2&filename=5jzy_K_6OV.mol2">MOL2 format, chain K [auth H]</a></li><li class="divider"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=308&label_asym_id=K&filename=5jzy_K_6OV.cif">mmCIF format, chain K [auth H]</a></li></li></ul></div></div></td><td>K [auth H]</td><td><strong>3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide</strong><br>C<sub>22</sub> H<sub>33</sub> N<sub>5</sub> O<sub>2</sub><br>MYWRJUDCBHMGKP-MOPGFXCFSA-N</td><td><a data-toggle="lightbox" data-title="5JZY: Ligand 6OV" href="https://cdn.rcsb.org/images/ccd/labeled/6/6OV.svg"><img src="https://cdn.rcsb.org/images/ccd/unlabeled/6/6OV.svg" style="width:116px; margin: 0 auto; display: block;"></a></td><td><div class="btn-group view-button-3d" role="group" style="position: absolute;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocus_6OV" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings."><i class="fa fa-cube"> </i>Interactions  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocus_6OV"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=K">Focus chain K [auth H]</a></li></ul></div><div class="btn-group view-button-3d" role="group" style="position: absolute; margin-top: 1.85em;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocusDensity_6OV" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings as well as density data."><i class="fa fa-cube"> </i>Interactions & Density  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocusDensity_6OV"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=K&density=true">Focus chain K [auth H]</a></li></ul></div></td></tr><a name="chem-comp-NAG"></a><tr id="ligand_row_NAG"><td><a href="/ligand/NAG">NAG</a><br><a class="hidden-print querySearchLink" href="/search?q=rcsb_chem_comp_container_identifiers.comp_id:NAG" onClick="sendGtag("smallmoleculeLigand_section", "ssp_search_link", "ligandId")">Query on NAG</a><br><hr><a class="btn btn-default btn-xs hidden-print" href="https://files.rcsb.org/ligands/download/NAG.cif">Download Ideal Coordinates CCD File&nbsp<span class="glyphicon glyphicon-download"></span></a><br><div style="display: list-item; margin-bottom: 5px;"><div class="btn-group" role="group" style="position: absolute"><button class="btn btn-xs btn-default dropdown-toggle" id="dropdownMenuDisplayCordinateFiles" type="button" data-toggle="dropdown" aria-expanded="false" role="group">Download Instance Coordinates <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuDisplayCordinateFiles"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=301&label_asym_id=D&encoding=sdf&filename=5jzy_D_NAG.sdf">SDF format, chain D [auth H]</a></li><li class="divider"></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=301&label_asym_id=D&encoding=mol2&filename=5jzy_D_NAG.mol2">MOL2 format, chain D [auth H]</a></li><li class="divider"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=301&label_asym_id=D&filename=5jzy_D_NAG.cif">mmCIF format, chain D [auth H]</a></li></li></ul></div></div></td><td>D [auth H]</td><td><strong>2-acetamido-2-deoxy-beta-D-glucopyranose</strong><br>C<sub>8</sub> H<sub>15</sub> N O<sub>6</sub><br>OVRNDRQMDRJTHS-FMDGEEDCSA-N</td><td><a data-toggle="lightbox" data-title="5JZY: Ligand NAG" href="https://cdn.rcsb.org/images/ccd/labeled/N/NAG.svg"><img src="https://cdn.rcsb.org/images/ccd/unlabeled/N/NAG.svg" style="width:116px; margin: 0 auto; display: block;"></a></td><td><div class="btn-group view-button-3d" role="group" style="position: absolute;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocus_NAG" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings."><i class="fa fa-cube"> </i>Interactions  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocus_NAG"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=D">Focus chain D [auth H]</a></li></ul></div><div class="btn-group view-button-3d" role="group" style="position: absolute; margin-top: 1.85em;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocusDensity_NAG" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings as well as density data."><i class="fa fa-cube"> </i>Interactions & Density  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocusDensity_NAG"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=D&density=true">Focus chain D [auth H]</a></li></ul></div></td></tr><a name="chem-comp-PO4"></a><tr id="ligand_row_PO4"><td><a href="/ligand/PO4">PO4</a><br><a class="hidden-print querySearchLink" href="/search?q=rcsb_chem_comp_container_identifiers.comp_id:PO4" onClick="sendGtag("smallmoleculeLigand_section", "ssp_search_link", "ligandId")">Query on PO4</a><br><hr><a class="btn btn-default btn-xs hidden-print" href="https://files.rcsb.org/ligands/download/PO4.cif">Download Ideal Coordinates CCD File&nbsp<span class="glyphicon glyphicon-download"></span></a><br><div style="display: list-item; margin-bottom: 5px;"><div class="btn-group" role="group" style="position: absolute"><button class="btn btn-xs btn-default dropdown-toggle" id="dropdownMenuDisplayCordinateFiles" type="button" data-toggle="dropdown" aria-expanded="false" role="group">Download Instance Coordinates <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuDisplayCordinateFiles"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=304&label_asym_id=G&encoding=sdf&filename=5jzy_G_PO4.sdf">SDF format, chain G [auth H]</a></li><li class="divider"></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=304&label_asym_id=G&encoding=mol2&filename=5jzy_G_PO4.mol2">MOL2 format, chain G [auth H]</a></li><li class="divider"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=304&label_asym_id=G&filename=5jzy_G_PO4.cif">mmCIF format, chain G [auth H]</a></li></li></ul></div></div></td><td>G [auth H]</td><td><strong>PHOSPHATE ION</strong><br>O<sub>4</sub> P<br>NBIIXXVUZAFLBC-UHFFFAOYSA-K</td><td><a data-toggle="lightbox" data-title="5JZY: Ligand PO4" href="https://cdn.rcsb.org/images/ccd/labeled/P/PO4.svg"><img src="https://cdn.rcsb.org/images/ccd/unlabeled/P/PO4.svg" style="width:116px; margin: 0 auto; display: block;"></a></td><td><div class="btn-group view-button-3d" role="group" style="position: absolute;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocus_PO4" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings."><i class="fa fa-cube"> </i>Interactions  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocus_PO4"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=G">Focus chain G [auth H]</a></li></ul></div><div class="btn-group view-button-3d" role="group" style="position: absolute; margin-top: 1.85em;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocusDensity_PO4" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings as well as density data."><i class="fa fa-cube"> </i>Interactions & Density  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocusDensity_PO4"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=G&density=true">Focus chain G [auth H]</a></li></ul></div></td></tr><a name="chem-comp-DMS"></a><tr id="ligand_row_DMS"><td><a href="/ligand/DMS">DMS</a><br><a class="hidden-print querySearchLink" href="/search?q=rcsb_chem_comp_container_identifiers.comp_id:DMS" onClick="sendGtag("smallmoleculeLigand_section", "ssp_search_link", "ligandId")">Query on DMS</a><br><hr><a class="btn btn-default btn-xs hidden-print" href="https://files.rcsb.org/ligands/download/DMS.cif">Download Ideal Coordinates CCD File&nbsp<span class="glyphicon glyphicon-download"></span></a><br><div style="display: list-item; margin-bottom: 5px;"><div class="btn-group" role="group" style="position: absolute"><button class="btn btn-xs btn-default dropdown-toggle" id="dropdownMenuDisplayCordinateFiles" type="button" data-toggle="dropdown" aria-expanded="false" role="group">Download Instance Coordinates <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuDisplayCordinateFiles"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=302&label_asym_id=E&encoding=sdf&filename=5jzy_E_DMS.sdf">SDF format, chain E [auth H]</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=303&label_asym_id=F&encoding=sdf&filename=5jzy_F_DMS.sdf">SDF format, chain F [auth H]</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=307&label_asym_id=J&encoding=sdf&filename=5jzy_J_DMS.sdf">SDF format, chain J [auth H]</a></li><li class="divider"></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=302&label_asym_id=E&encoding=mol2&filename=5jzy_E_DMS.mol2">MOL2 format, chain E [auth H]</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=303&label_asym_id=F&encoding=mol2&filename=5jzy_F_DMS.mol2">MOL2 format, chain F [auth H]</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=307&label_asym_id=J&encoding=mol2&filename=5jzy_J_DMS.mol2">MOL2 format, chain J [auth H]</a></li><li class="divider"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=302&label_asym_id=E&filename=5jzy_E_DMS.cif">mmCIF format, chain E [auth H]</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=303&label_asym_id=F&filename=5jzy_F_DMS.cif">mmCIF format, chain F [auth H]</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=307&label_asym_id=J&filename=5jzy_J_DMS.cif">mmCIF format, chain J [auth H]</a></li></li></ul></div></div></td><td>E [auth H],<br>F [auth H],<br>J [auth H]</td><td><strong>DIMETHYL SULFOXIDE</strong><br>C<sub>2</sub> H<sub>6</sub> O S<br>IAZDPXIOMUYVGZ-UHFFFAOYSA-N</td><td><a data-toggle="lightbox" data-title="5JZY: Ligand DMS" href="https://cdn.rcsb.org/images/ccd/labeled/D/DMS.svg"><img src="https://cdn.rcsb.org/images/ccd/unlabeled/D/DMS.svg" style="width:116px; margin: 0 auto; display: block;"></a></td><td><div class="btn-group view-button-3d" role="group" style="position: absolute;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocus_DMS" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings."><i class="fa fa-cube"> </i>Interactions  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocus_DMS"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=E">Focus chain E [auth H]</a></li><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=F">Focus chain F [auth H]</a></li><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=J">Focus chain J [auth H]</a></li></ul></div><div class="btn-group view-button-3d" role="group" style="position: absolute; margin-top: 1.85em;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocusDensity_DMS" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings as well as density data."><i class="fa fa-cube"> </i>Interactions & Density  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocusDensity_DMS"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=E&density=true">Focus chain E [auth H]</a></li><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=F&density=true">Focus chain F [auth H]</a></li><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=J&density=true">Focus chain J [auth H]</a></li></ul></div></td></tr><a name="chem-comp-NA"></a><tr id="ligand_row_NA"><td><a href="/ligand/NA">NA</a><br><a class="hidden-print querySearchLink" href="/search?q=rcsb_chem_comp_container_identifiers.comp_id:NA" onClick="sendGtag("smallmoleculeLigand_section", "ssp_search_link", "ligandId")">Query on NA</a><br><hr><a class="btn btn-default btn-xs hidden-print" href="https://files.rcsb.org/ligands/download/NA.cif">Download Ideal Coordinates CCD File&nbsp<span class="glyphicon glyphicon-download"></span></a><br><div style="display: list-item; margin-bottom: 5px;"><div class="btn-group" role="group" style="position: absolute"><button class="btn btn-xs btn-default dropdown-toggle" id="dropdownMenuDisplayCordinateFiles" type="button" data-toggle="dropdown" aria-expanded="false" role="group">Download Instance Coordinates <span class="caret"></span></button><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuDisplayCordinateFiles"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=305&label_asym_id=H&encoding=sdf&filename=5jzy_H_NA.sdf">SDF format, chain H</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=306&label_asym_id=I&encoding=sdf&filename=5jzy_I_NA.sdf">SDF format, chain I [auth H]</a></li><li class="divider"></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=305&label_asym_id=H&encoding=mol2&filename=5jzy_H_NA.mol2">MOL2 format, chain H</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=306&label_asym_id=I&encoding=mol2&filename=5jzy_I_NA.mol2">MOL2 format, chain I [auth H]</a></li><li class="divider"><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=305&label_asym_id=H&filename=5jzy_H_NA.cif">mmCIF format, chain H</a></li><li><a href="https://models.rcsb.org/v1/5jzy/ligand?auth_seq_id=306&label_asym_id=I&filename=5jzy_I_NA.cif">mmCIF format, chain I [auth H]</a></li></li></ul></div></div></td><td>H,<br>I [auth H]</td><td><strong>SODIUM ION</strong><br>Na<br>FKNQFGJONOIPTF-UHFFFAOYSA-N</td><td><a data-toggle="lightbox" data-title="5JZY: Ligand NA" href="https://cdn.rcsb.org/images/ccd/labeled/N/NA.svg"><img src="https://cdn.rcsb.org/images/ccd/unlabeled/N/NA.svg" style="width:116px; margin: 0 auto; display: block;"></a></td><td><div class="btn-group view-button-3d" role="group" style="position: absolute;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocus_NA" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings."><i class="fa fa-cube"> </i>Interactions  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocus_NA"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=H">Focus chain H</a></li><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=I">Focus chain I [auth H]</a></li></ul></div><div class="btn-group view-button-3d" role="group" style="position: absolute; margin-top: 1.85em;"><a class="btn btn-default btn-xs dropdown-toggle" id="dropdownMenuLigandFocusDensity_NA" type="button" data-toggle="dropdown" aria-expanded="false" role="group" title="Focus on a ligand and show non-covalent interactions with its surroundings as well as density data."><i class="fa fa-cube"> </i>Interactions & Density  <span class="caret"></span></a><ul class="dropdown-menu" role="menu" aria-labelledby="dropdownMenuLigandFocusDensity_NA"><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=H&density=true">Focus chain H</a></li><li><a href="/3d-view/5JZY?preset=ligandInteraction&label_asym_id=I&density=true">Focus chain I [auth H]</a></li></ul></div></td></tr></tbody></table></div></div></div><div class="row"><div class="col-md-12 col-sm-12 col-xs-12"><div class="table-responsive" id="ModifiedResidueTable"><table class="table table-bordered table-condensed" id="ModifiedResidueMainTable"><tr class="active"><th colspan="6">Modified Residues <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="All standard residues as included in the mmCIF dictionary following the IUPAC definition."></span> <span class="badge">1 Unique</span></th></tr><tr><th class="col-sm-2 col-lg-2 pad-by-five">ID</th><th class="col-sm-1 col-lg-1 pad-by-five">Chains <span class="glyphicon glyphicon-info-sign hidden-xs hidden-sm hidden-md" aria-hidden="true" data-toggle="tooltip" data-placement="top" data-original-title="If the two PDB chain IDs (label_asym_id; assigned by the PDB) and auth_asym_id (selected by the author) do not coincide, the chain ID is displayed as “label_asym_id [auth auth_asym_id]”"></span></th><th class="col-sm-3 col-lg-3 pad-by-five">Type</th><th class="col-sm-2 col-lg-2 pad-by-five">Formula</th><th class="col-sm-2 col-lg-2 pad-by-five">2D Diagram</th><th class="col-sm-2 col-lg-2 pad-by-five">Parent</th></tr><tbody><tr id="residue_row_TYS"><td><a href="/ligand/TYS">TYS</a><br><a class="hidden-print querySearchLink" href="/search?q=rcsb_chem_comp_container_identifiers.comp_id:TYS&rt=polymer_entity" onClick="sendGtag("smallmoleculeModifiedResidues_section", "ssp_search_link", "residueId")">Query on TYS</a></td><td>C [auth I]</td><td>L-PEPTIDE LINKING</td><td>C<sub>9</sub> H<sub>11</sub> N O<sub>6</sub> S</td><td><a data-toggle="lightbox" href="https://cdn.rcsb.org/images/ccd/labeled/T/TYS.svg"><img src="https://cdn.rcsb.org/images/ccd/unlabeled/T/TYS.svg" style="width:116px; margin: 0 auto; display: block;"></a></td><td><a href="/ligand/TYR">TYR</a></td></tr></tbody></table></div></div></div></div></div><div class="panel panel-default" id="experimentaldata-validation"><div class="panel-heading"><div class="panel-title">Experimental Data & Validation</div></div><div class="panel-body"><div class="row"><div class="col-md-6 col-sm-12 col-xs-12"><h4>Experimental Data</h4><div class="row"><ul class="list-unstyled col-sm-12 col-lg-12 col-md-12" id="experimentaldatabottom"><li id="exp_header_0_method"><strong>Method:&nbsp</strong>X-RAY DIFFRACTION</li><li id="exp_header_0_diffraction_resolution"><strong>Resolution:&nbsp</strong>1.27 Å</li><li id="exp_header_0_diffraction_rvalueFree"><strong>R-Value Free:&nbsp</strong>0.142&nbsp</li><li id="exp_header_0_diffraction_rvalueWork"><strong>R-Value Work:&nbsp</strong>0.120&nbsp</li><li id="exp_header_0_diffraction_rvalueObserved"><strong>R-Value Observed:&nbsp</strong>0.121&nbsp</li><li id="exp_undefined_xray_spaceGroup"><strong>Space Group:&nbsp<a class="querySearchLink" href="/search?q=symmetry.space_group_name_H_M:C 1 2 1" onClick="sendGtag("experimental_section", "ssp_search_link", "spaceGroup")">C 1 2 1</a></strong></li></ul><div class="col-lg-12 col-md-12 col-sm-12"><strong>Unit Cell</strong>:<table class="table table-bordered table-condensed" id="unitCellTable"><thead><tr class="active"><th>Length ( Å )</th><th>Angle ( ˚ )</th></tr></thead><tbody><tr><td>a = 69.92</td><td>α = 90</td></tr><tr><td>b = 71.509</td><td>β = 100.5</td></tr><tr><td>c = 72.295</td><td>γ = 90</td></tr></tbody></table></div></div><strong>Software Package:</strong><table class="table table-bordered table-condensed" id="xraysoftwarePackages"><thead><tr class="active"><th>Software Name</th><th>Purpose</th></tr></thead><tbody><tr><td>PHENIX</td><td>refinement</td></tr><tr><td>Coot</td><td>model building</td></tr><tr><td>XDS</td><td>data scaling</td></tr><tr><td>PHASER</td><td>phasing</td></tr><tr><td>XDS</td><td>data reduction</td></tr></tbody></table></div><div class="col-md-6 col-sm-12 col-xs-12"><h4>Structure Validation</h4><p id="validationSection">View&nbsp<a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_full_validation.pdf">Full Validation Report</a></p><a target="_blank" rel="noopener" href="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_full_validation.pdf"><img class="img-thumbnail" src="//files.rcsb.org/pub/pdb/validation_reports/jz/5jzy/5jzy_multipercentile_validation.png" width="500"></a><br><br><h4 class="ligand-validation">Ligand Structure Quality Assessment&nbsp<span class="glyphicon glyphicon-info-sign" data-toggle="tooltip" data-placement="left" data-original-title="Click on a bar to see detailed information about the ligand structure goodness of fit to experimental data for each ligand of interest in 5JZY"></span></h4><div id="ligand-validation-container-2"></div><script>LigandValidation.draw(2)</script></div></div><br><div class="row"><div class="col-md-6 col-sm-12 col-xs-12"><a class="btn btn-sm btn-default hidden-print" href="/experimental/5JZY">View more in-depth experimental data</a></div></div></div></div><div class="panel panel-default" id="entry-history"><div class="panel-heading"><div class="panel-title">Entry History&nbsp</div></div><div class="panel-body"><div class="row"><div class="col-md-6 col-sm-6 col-xs-12 col-xs-12"><h4>Deposition Data</h4><ul class="list-unstyled" id="DepositionDataList"><li><strong>Released Date:&nbsp</strong>2017-06-07&nbsp</li><strong>Deposition Author(s):&nbsp</strong><a href="/search?q=audit_author.name:Sandner, A." onClick="sendGtag("entryHistory_section", "ssp_search_link", "depAuthor")">Sandner, A.</a>, <a href="/search?q=audit_author.name:Heine, A." onClick="sendGtag("entryHistory_section", "ssp_search_link", "depAuthor")">Heine, A.</a>, <a href="/search?q=audit_author.name:Klebe, G." onClick="sendGtag("entryHistory_section", "ssp_search_link", "depAuthor")">Klebe, G.</a></ul></div><div class="col-md-6 col-sm-6 col-xs-12 col-xs-12"><h4>Revision History  <small><a href="/versions/5JZY">(Full details and data files)</a></small></h4><ul id="revisionHistorySection"><li><strong>Version 1.0: 2017-06-07</strong><br>Type: Initial release<br></li><li><strong>Version 1.1: 2019-11-27</strong><br>Changes: Database references </li><li><strong>Version 1.2: 2020-07-29</strong><br>Type: Remediation<br>Reason: Carbohydrate remediation <br>Changes: Data collection, Derived calculations, Structure summary </li><li><strong>Version 1.3: 2024-01-10</strong><br>Changes: Data collection, Database references, Refinement description, Structure summary </li><li><strong>Version 1.4: 2024-10-16</strong><br>Changes: Structure summary </li></ul></div></div></div></div></div><div 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