3iit

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{{Seed}}
 
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[[Image:3iit.jpg|left|200px]]
 
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==Factor XA in complex with a cis-1,2-diaminocyclohexane derivative==
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The line below this paragraph, containing "STRUCTURE_3iit", creates the "Structure Box" on the page.
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<StructureSection load='3iit' size='340' side='right'caption='[[3iit]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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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'>[[3iit]] 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=3IIT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IIT FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.8&#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=D14:7-CHLORO-N-[(1S,2R,4S)-4-(DIMETHYLCARBAMOYL)-2-{[(5-METHYL-5,6-DIHYDRO-4H-PYRROLO[3,4-D][1,3]THIAZOL-2-YL)CARBONYL]AMINO}CYCLOHEXYL]ISOQUINOLINE-3-CARBOXAMIDE'>D14</scene></td></tr>
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{{STRUCTURE_3iit| PDB=3iit | 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=3iit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3iit OCA], [https://pdbe.org/3iit PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3iit RCSB], [https://www.ebi.ac.uk/pdbsum/3iit PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3iit 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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== 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/ii/3iit_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=3iit 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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A series of cis-1,2-diaminocyclohexane derivatives possessing a 6-6 fused ring for the S1 moiety were synthesized as novel factor Xa (fXa) inhibitors. The synthesis, structure-activity relationship (SAR), and physicochemical properties are reported herein, together with the discovery of compound 45c, which has potent anti-fXa activity, good physicochemical properties and pharmacokinetic (PK) profiles, including a reduced negative food effect.
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===Factor XA in complex with a cis-1,2-diaminocyclohexane derivative===
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Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.,Yoshikawa K, Kobayashi S, Nakamoto Y, Haginoya N, Komoriya S, Yoshino T, Nagata T, Mochizuki A, Watanabe K, Suzuki M, Kanno H, Ohta T Bioorg Med Chem. 2009 Dec 15;17(24):8221-33. Epub 2009 Oct 17. PMID:19900814<ref>PMID:19900814</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 3iit" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_19900814}}, 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 19900814 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_19900814}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3IIT is a 2 chains structure with sequences 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=3IIT OCA].
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==Reference==
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<ref group="xtra">PMID:19900814</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: Suzuki, M.]]
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[[Category: Large Structures]]
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[[Category: Blood coagulation]]
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[[Category: Suzuki M]]
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[[Category: Blood coagulation factor]]
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[[Category: Calcium-binding]]
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[[Category: Cleavage on pair 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: 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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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 4 09:06:20 2010''
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Current revision

Factor XA in complex with a cis-1,2-diaminocyclohexane derivative

PDB ID 3iit

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