1qcp
From Proteopedia
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CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A
Overview
The three-dimensional structure of bovine pancreatic trypsin complexed, with the inhibitor RWJ-51084 has been determined at 1.8 A resolution., These crystals belong to the trigonal space group P3(1)21, with unit-cell, parameters a = b = 53.43, c = 107.76 A. The refined R and R(free) values, are 0.175 and 0.237, respectively. The carbonyl group bonded to the, benzothiazole group of the inhibitor is covalently linked to the hydroxyl, O atom of Ser195, forming a tetrahedral intermediate hemiketal structure., The other carbonyl O atom of the inhibitor forms a hydrogen bond with the, Gln192 side-chain amide group. The benzothiazole group is oriented with, the aromatic N atom of RWJ-51084 accepting a hydrogen bond from His57 NE2., The arginine side chain of the inhibitor extends into the deep and narrow, pocket of the S1 specificity site of trypsin, forming a network of, hydrogen bonds.
About this Structure
1QCP is a Single protein structure of sequence from Bos taurus with CA and RWJ as ligands. Full crystallographic information is available from OCA.
Reference
Structure of the RWJ-51084-bovine pancreatic beta-trypsin complex at 1.8 A., Recacha R, Carson M, Costanzo MJ, Maryanoff B, DeLucas LJ, Chattopadhyay D, Acta Crystallogr D Biol Crystallogr. 1999 Nov;55(Pt 11):1785-91. PMID:10531473
Page seeded by OCA on Wed Nov 21 00:34:36 2007
