1qcp
From Proteopedia
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|PDB= 1qcp |SIZE=350|CAPTION= <scene name='initialview01'>1qcp</scene>, resolution 1.80Å | |PDB= 1qcp |SIZE=350|CAPTION= <scene name='initialview01'>1qcp</scene>, resolution 1.80Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> | + | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=RWJ:CYCLOPENTANECARBOXYLIC+ACID+[1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE'>RWJ</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qcp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qcp OCA], [http://www.ebi.ac.uk/pdbsum/1qcp PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1qcp RCSB]</span> | ||
}} | }} | ||
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[[Category: Maryanoff, B.]] | [[Category: Maryanoff, B.]] | ||
[[Category: Recacha, R.]] | [[Category: Recacha, R.]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: RWJ]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
[[Category: serine protease-inhibitor complex]] | [[Category: serine protease-inhibitor complex]] | ||
| - | ''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 23:11:56 2008'' |
Revision as of 20:11, 30 March 2008
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| , resolution 1.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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
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