1qb9

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[[Image:1qb9.jpg|left|200px]]
[[Image:1qb9.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1qb9 |SIZE=350|CAPTION= <scene name='initialview01'>1qb9</scene>, resolution 1.80&Aring;
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The line below this paragraph, containing "STRUCTURE_1qb9", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=806:7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID'>806</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1qb9| PDB=1qb9 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qb9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qb9 OCA], [http://www.ebi.ac.uk/pdbsum/1qb9 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1qb9 RCSB]</span>
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}}
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'''BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX'''
'''BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX'''
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[[Category: Trypsin]]
[[Category: Trypsin]]
[[Category: Whitlow, M.]]
[[Category: Whitlow, M.]]
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[[Category: factor xa]]
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[[Category: Factor xa]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: protein-inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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[[Category: s1 pocket]]
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[[Category: S1 pocket]]
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[[Category: serine proteinase]]
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[[Category: Serine proteinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 06:05:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:11:20 2008''
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Revision as of 03:05, 3 May 2008

Image:1qb9.jpg

Template:STRUCTURE 1qb9

BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX


Overview

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.

About this Structure

1QB9 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

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 Page seeded by OCA on Sat May 3 06:05:40 2008

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OCA

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