3q3k

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[[Image:3q3k.jpg|left|200px]]
 
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==Factor Xa in complex with a phenylenediamine derivative==
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The line below this paragraph, containing "STRUCTURE_3q3k", creates the "Structure Box" on the page.
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<StructureSection load='3q3k' size='340' side='right'caption='[[3q3k]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3q3k]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q3K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3Q3K FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=D90:N-(2-{[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]AMINO}PHENYL)-5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE'>D90</scene></td></tr>
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{{STRUCTURE_3q3k| PDB=3q3k | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3q3k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3q3k OCA], [https://pdbe.org/3q3k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3q3k RCSB], [https://www.ebi.ac.uk/pdbsum/3q3k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3q3k ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[https://omim.org/entry/227600 227600]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We previously reported on a series of cyclohexanediamine derivatives as highly potent factor Xa inhibitors. Herein, we describe the modification of the spacer moiety to discover an alternative scaffold. Ethylenediamine derivatives possessing a substituent at the C1 position in S configuration and phenylenediamine derivatives possessing a substituent at the C5 position demonstrated moderate to strong anti-fXa activity. Further SAR studies led to the identification of compound 30 h which showed both good in vitro activity (fXa IC(50) = 2.2 nM, PTCT2 = 3.9 muM) and in vivo antithrombotic efficacy.
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===Factor Xa in complex with a phenylenediamine derivative===
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Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.,Yoshikawa K, Yoshino T, Yokomizo Y, Uoto K, Naito H, Kawakami K, Mochizuki A, Nagata T, Suzuki M, Kanno H, Takemura M, Ohta T Bioorg Med Chem Lett. 2011 Apr 1;21(7):2133-40. Epub 2011 Feb 1. PMID:21345673<ref>PMID:21345673</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3q3k" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_21345673}}, adds the Publication Abstract to the page
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*[[Factor Xa|Factor Xa]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21345673 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21345673}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[3q3k]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3Q3K OCA].
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==Reference==
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<ref group="xtra">PMID:021345673</ref><references group="xtra"/>
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[[Category: Coagulation factor Xa]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Imai, E.]]
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[[Category: Large Structures]]
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[[Category: Suzuki, M.]]
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[[Category: Imai E]]
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[[Category: Blood coaggulation]]
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[[Category: Suzuki M]]
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[[Category: Blood coaggulation factor]]
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[[Category: Cleavage of basic residue]]
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[[Category: Disulfide bond]]
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[[Category: Egf-like domain]]
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[[Category: Gamma-carboxyglutamic acid]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Hydroxylation]]
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[[Category: Plasma]]
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[[Category: Protease]]
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[[Category: Protein inhibitor complex]]
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[[Category: Secreted]]
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[[Category: Serine protease]]
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[[Category: Zymogen]]
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Current revision

Factor Xa in complex with a phenylenediamine derivative

PDB ID 3q3k

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