3bg8

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[[Image:3bg8.png|left|200px]]
 
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{{STRUCTURE_3bg8| PDB=3bg8 | SCENE= }}
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==Crystal structure of Factor XIa in complex with Clavatadine A==
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<StructureSection load='3bg8' size='340' side='right'caption='[[3bg8]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3bg8]] is a 1 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=3BG8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BG8 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]] 1.6&#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=BEN:BENZAMIDINE'>BEN</scene>, <scene name='pdbligand=G0R:~{N}-(4-carbamimidamidobutyl)ethanamide'>G0R</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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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=3bg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bg8 OCA], [https://pdbe.org/3bg8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bg8 RCSB], [https://www.ebi.ac.uk/pdbsum/3bg8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bg8 ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/FA11_HUMAN FA11_HUMAN] Defects in F11 are the cause of factor XI deficiency (FA11D) [MIM:[https://omim.org/entry/612416 612416]; also known as plasma thromboplastin antecedent deficiency or Rosenthal syndrome. It is a hemorrhagic disease characterized by reduced levels and activity of factor XI resulting in moderate bleeding symptoms, usually occurring after trauma or surgery. Patients usually do not present spontaneous bleeding but women can present with menorrhagia. Hemorrhages are usually moderate.<ref>PMID:2813350</ref> <ref>PMID:1547342</ref> <ref>PMID:7888672</ref> <ref>PMID:7669672</ref> <ref>PMID:9401068</ref> <ref>PMID:9787168</ref> <ref>PMID:10027710</ref> <ref>PMID:10606881</ref> <ref>PMID:11895778</ref> <ref>PMID:15026311</ref> <ref>PMID:15180874</ref> <ref>PMID:15953011</ref> <ref>PMID:16607084</ref> <ref>PMID:18005151</ref> <ref>PMID:21668437</ref> <ref>PMID:21457405</ref> <ref>PMID:22016685</ref> <ref>PMID:22322133</ref> <ref>PMID:21999818</ref> <ref>PMID:22159456</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/FA11_HUMAN FA11_HUMAN] Factor XI triggers the middle phase of the intrinsic pathway of blood coagulation by activating factor IX.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bg/3bg8_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3bg8 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Bioassay-guided fractionation of a CH2Cl2/MeOH extract of the sponge Suberea clavata using the serine protease factor XIa to detect antithrombotic activity led to the isolation of the new marine natural products, clavatadines A and B. Clavatadines A and B inhibited factor XIa with IC50's of 1.3 and 27 microM, respectively. A crystal structure of protein-inhibitor (clavatadine A) complex was obtained and revealed interesting selective binding and irreversible inhibition of factor XIa. The cocrystal structure provides guidance for the design and synthesis of future factor XIa inhibitors as antithrombotic agents.
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===Crystal structure of Factor XIa in complex with Clavatadine A===
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Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.,Buchanan MS, Carroll AR, Wessling D, Jobling M, Avery VM, Davis RA, Feng Y, Xue Y, Oster L, Fex T, Deinum J, Hooper JN, Quinn RJ J Med Chem. 2008 Jun 26;51(12):3583-7. PMID:18510371<ref>PMID:18510371</ref>
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{{ABSTRACT_PUBMED_18510371}}
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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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==About this Structure==
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<div class="pdbe-citations 3bg8" style="background-color:#fffaf0;"></div>
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[[3bg8]] is a 1 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=3BG8 OCA].
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==See Also==
==See Also==
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*[[Factor XIa|Factor XIa]]
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*[[Factor XIa 3D structures|Factor XIa 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:018510371</ref><references group="xtra"/>
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__TOC__
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[[Category: Coagulation factor XIa]]
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Oster, L.]]
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[[Category: Large Structures]]
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[[Category: Xue, Y.]]
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[[Category: Oster L]]
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[[Category: Blood coagulation]]
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[[Category: Xue Y]]
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[[Category: Covalent inhibitor]]
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[[Category: Disease mutation]]
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[[Category: Factor xia inhibitor complex]]
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[[Category: Glycoprotein]]
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[[Category: Heparin-binding]]
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[[Category: Hydrolase]]
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[[Category: Protease inhibitor]]
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[[Category: Secreted]]
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[[Category: Serine protease]]
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Current revision

Crystal structure of Factor XIa in complex with Clavatadine A

PDB ID 3bg8

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