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1qb1

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(New page: 200px<br /> <applet load="1qb1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qb1, resolution 1.80&Aring;" /> '''BOVINE TRYPSIN WITH...)
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[[Image:1qb1.gif|left|200px]]<br />
 
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<applet load="1qb1" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1qb1, resolution 1.80&Aring;" />
 
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'''BOVINE TRYPSIN WITH 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID (ZK-806974)'''<br />
 
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==Overview==
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==Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)==
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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 ... [[http://ispc.weizmann.ac.il/pmbin/getpm?10417407 (full description)]]
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<StructureSection load='1qb1' size='340' side='right'caption='[[1qb1]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1qb1]] 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=1QB1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QB1 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=974:1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]+PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC+ACID'>974</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=1qb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qb1 OCA], [https://pdbe.org/1qb1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qb1 RCSB], [https://www.ebi.ac.uk/pdbsum/1qb1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qb1 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/qb/1qb1_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1qb1 ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1QB1 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 974 as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], 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=1QB1 OCA]].
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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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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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Whitlow, M.]]
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[[Category: Whitlow M]]
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[[Category: 974]]
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[[Category: CA]]
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[[Category: factor xa]]
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[[Category: hydrolase]]
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[[Category: protein-inhibitor complex]]
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[[Category: s1 pocket]]
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[[Category: serine proteinase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Oct 29 21:28:38 2007''
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Current revision

Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)

PDB ID 1qb1

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