1qb9
From Proteopedia
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|PDB= 1qb9 |SIZE=350|CAPTION= <scene name='initialview01'>1qb9</scene>, resolution 1.80Å | |PDB= 1qb9 |SIZE=350|CAPTION= <scene name='initialview01'>1qb9</scene>, resolution 1.80Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |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> |
| - | |ACTIVITY= [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] | + | |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> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |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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[[Category: Trypsin]] | [[Category: Trypsin]] | ||
[[Category: Whitlow, M.]] | [[Category: Whitlow, M.]] | ||
| - | [[Category: 806]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: K]] | ||
[[Category: factor xa]] | [[Category: factor xa]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| Line 33: | Line 33: | ||
[[Category: serine proteinase]] | [[Category: serine proteinase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:11:20 2008'' |
Revision as of 20:11, 30 March 2008
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| , resolution 1.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Activity: | Trypsin, with EC number 3.4.21.4 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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
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