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1a4w
From Proteopedia
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| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 14:45:02 2007'' |
Revision as of 12:40, 30 October 2007
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CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE
Overview
Structures of the blood clotting enzyme thrombin complexed with hirugen, and two active site inhibitors, RWJ-50353, 10080(N-methyl-D-phenylalanyl-N-[5-[(aminoiminomethyl)amino]-1-, [[(2-benzothiazolyl)carbonyl]butyl]-L-prolinamide trifluoroacetate, hydrate) and RWJ-50215 (N-[4-(aminoiminomethyl)amino-1-[2-, (thiazol-2-ylcarbonylethyl)piperidin-, 1-ylcarbonyl]butyl]-5-(dimethylamino)naphthalenesulfonamide, trifluoroacetate hydrate), were determined by x-ray crystallography. The, refinements converged at R values of 0.158 in the 7.0-2.3-A range for, RWJ-50353 and 0.155 in the 7.0-1.8-A range for RWJ-50215. Interactions, between the protein and the thiazole rings of the two inhibitors provide, new valuable information about the S1' binding site of thrombin. The, RWJ-50353 inhibitor consists ... [(full description)]
About this Structure
1A4W is a [Protein complex] structure of sequences from [Homo sapiens] with NA, ANS and KTH as [ligands]. Active as [Thrombin], with EC number [3.4.21.5]. Structure known Active Site: CAT. Full crystallographic information is available from [OCA].
Reference
Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site., Matthews JH, Krishnan R, Costanzo MJ, Maryanoff BE, Tulinsky A, Biophys J. 1996 Nov;71(5):2830-9. PMID:8913620
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