1qcp
From Proteopedia
(New page: 200px<br /><applet load="1qcp" size="450" color="white" frame="true" align="right" spinBox="true" caption="1qcp, resolution 1.80Å" /> '''CRYSTAL STRUCTURE OF...) |
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| - | [[Image:1qcp.jpg|left|200px]]<br /><applet load="1qcp" size=" | + | [[Image:1qcp.jpg|left|200px]]<br /><applet load="1qcp" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1qcp, resolution 1.80Å" /> | caption="1qcp, resolution 1.80Å" /> | ||
'''CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A'''<br /> | '''CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE PANCREATIC BETA-TRYPSIN AT 1.8 A'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The three-dimensional structure of bovine pancreatic trypsin complexed | + | 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== | ==About this Structure== | ||
| - | 1QCP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with CA and RWJ as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 1QCP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=RWJ:'>RWJ</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QCP OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Carson, M.]] | [[Category: Carson, M.]] | ||
[[Category: Chattopadhyay, D.]] | [[Category: Chattopadhyay, D.]] | ||
| - | [[Category: Costanzo, M | + | [[Category: Costanzo, M J.]] |
[[Category: Maryanoff, B.]] | [[Category: Maryanoff, B.]] | ||
[[Category: Recacha, R.]] | [[Category: Recacha, R.]] | ||
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[[Category: serine protease-inhibitor complex]] | [[Category: serine protease-inhibitor complex]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:38:19 2008'' |
Revision as of 12:38, 21 February 2008
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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 and 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
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