1qa0

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(New page: 200px<br /><applet load="1qa0" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qa0, resolution 1.8&Aring;" /> '''BOVINE TRYPSIN 2-AMIN...)
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[[Image:1qa0.jpg|left|200px]]<br /><applet load="1qa0" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1qa0, resolution 1.8&Aring;" />
 
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'''BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX'''<br />
 
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==Overview==
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==BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX==
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Factor Xa is a serine protease which activates thrombin (factor IIa) and, plays a key regulatory role in the blood-coagulation cascade. Factor Xa, is, therefore, an important target for the design of anti-thrombotics., Both factor Xa and thrombin share sequence and structural homology with, trypsin. As part of a factor Xa inhibitor-design program, a number of, factor Xa inhibitors were crystallographically studied complexed to bovine, trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole, and three diaryloxypyridines are described. All five compounds bind to, trypsin in an extended conformation, with an amidinoaryl group in the S1, pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These, binding modes all bear a resemblance to the reported binding mode of, DX-9065a in bovine trypsin and human factor Xa.
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<StructureSection load='1qa0' size='340' side='right'caption='[[1qa0]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1qa0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QA0 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]] 1.8&#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=270:2H-BENZOIMIDAZOL-2-YLAMINE'>270</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</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=1qa0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qa0 OCA], [https://pdbe.org/1qa0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qa0 RCSB], [https://www.ebi.ac.uk/pdbsum/1qa0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qa0 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
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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/qa/1qa0_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=1qa0 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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Factor Xa is a serine protease which activates thrombin (factor IIa) and plays a key regulatory role in the blood-coagulation cascade. Factor Xa is, therefore, an important target for the design of anti-thrombotics. Both factor Xa and thrombin share sequence and structural homology with trypsin. As part of a factor Xa inhibitor-design program, a number of factor Xa inhibitors were crystallographically studied complexed to bovine trypsin. The structures of one diaryl benzimidazole, one diaryl carbazole and three diaryloxypyridines are described. All five compounds bind to trypsin in an extended conformation, with an amidinoaryl group in the S1 pocket and a second basic/hydrophobic moiety bound in the S4 pocket. These binding modes all bear a resemblance to the reported binding mode of DX-9065a in bovine trypsin and human factor Xa.
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==About this Structure==
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Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.,Whitlow M, Arnaiz DO, Buckman BO, Davey DD, Griedel B, Guilford WJ, Koovakkat SK, Liang A, Mohan R, Phillips GB, Seto M, Shaw KJ, Xu W, Zhao Z, Light DR, Morrissey MM Acta Crystallogr D Biol Crystallogr. 1999 Aug;55(Pt 8):1395-404. PMID:10417407<ref>PMID:10417407</ref>
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1QA0 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with CA and 270 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1QA0 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin., Whitlow M, Arnaiz DO, Buckman BO, Davey DD, Griedel B, Guilford WJ, Koovakkat SK, Liang A, Mohan R, Phillips GB, Seto M, Shaw KJ, Xu W, Zhao Z, Light DR, Morrissey MM, Acta Crystallogr D Biol Crystallogr. 1999 Aug;55(Pt 8):1395-404. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10417407 10417407]
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</div>
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[[Category: Bos taurus]]
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<div class="pdbe-citations 1qa0" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Trypsin]]
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[[Category: Whitlow, M.]]
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[[Category: 270]]
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[[Category: CA]]
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[[Category: protein-inhibitor complex]]
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[[Category: s1 pocket]]
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[[Category: serine protease]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 00:30:55 2007''
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==See Also==
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Bos taurus]]
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[[Category: Large Structures]]
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[[Category: Whitlow M]]

Current revision

BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX

PDB ID 1qa0

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