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| | {{STRUCTURE_1k2i| PDB=1k2i | SCENE= }} | | {{STRUCTURE_1k2i| PDB=1k2i | SCENE= }} |
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| - | '''Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin'''
| + | ===Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin=== |
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| - | ==Overview==
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| - | The 1.8 A crystal structure of 7-hydroxycoumarin (7-HC) bound to chymotrypsin reveals that this inhibitor forms a planar cinnamate acyl-enzyme complex. The phenyl ring of the bound inhibitor forms numerous van der Waals contacts in the S1 pocket of the enzyme, with the p-hydroxyl group donating a hydrogen bond to the main-chain oxygen atom of Ser217, and the o-hydroxyl group forming a water-mediated hydrogen bond with the carbonyl oxygen of Val227. The structure of the acyl-enzyme complex suggests that the mechanism of inhibition of 7-HC involves nucleophilic attack by the Ser195 O(gamma) atom on the carbonyl carbon atom of the inhibitor, accompanied by the breaking of the 2-pyrone ring of the inhibitor, and leading to the formation of a cinnamate acyl-enzyme derivative via a tetrahedral transition state. Comparisons with structures of photoreversible cinnamates bound to chymotrypsin reveal that although 7-HC interacts with the enzyme in a similar fashion, the binding of 7-HC to chymotrypsin takes place in a productive conformation in contrast to the photoreversible cinnamates. In summary, the 7-HC-chymotrypsin complex provides basic insight into the inhibition of chymotrypsin by natural coumarins and provides a structural basis for the design of more potent mechanism-based inhibitors against a wide range of biologically important chymotrypsin-like enzymes. | + | The line below this paragraph, {{ABSTRACT_PUBMED_11846564}}, adds the Publication Abstract to the page |
| | + | (as it appears on PubMed at http://www.pubmed.gov), where 11846564 is the PubMed ID number. |
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| | + | {{ABSTRACT_PUBMED_11846564}} |
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| | ==About this Structure== | | ==About this Structure== |
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| | [[Category: Ullah, N.]] | | [[Category: Ullah, N.]] |
| | [[Category: Enzyme-inhibitor complex]] | | [[Category: Enzyme-inhibitor complex]] |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 22:13:18 2008'' | + | |
| | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 21:32:16 2008'' |
Revision as of 18:32, 1 July 2008
Template:STRUCTURE 1k2i
Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin
Template:ABSTRACT PUBMED 11846564
About this Structure
1K2I is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.
Reference
Crystal structure of gamma-chymotrypsin in complex with 7-hydroxycoumarin., Ghani U, Ng KK, Atta-ur-Rahman, Choudhary MI, Ullah N, James MN, J Mol Biol. 2001 Nov 30;314(3):519-25. PMID:11846564
Page seeded by OCA on Tue Jul 1 21:32:16 2008
