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[[Image:5est.gif|left|200px]]
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{{STRUCTURE_5est|  PDB=5est  |  SCENE=  }}  
{{STRUCTURE_5est|  PDB=5est  |  SCENE=  }}  


'''CRYSTALLOGRAPHIC ANALYSIS OF THE INHIBITION OF PORCINE PANCREATIC ELASTASE BY A PEPTIDYL BORONIC ACID: STRUCTURE OF A REACTION INTERMEDIATE'''
===CRYSTALLOGRAPHIC ANALYSIS OF THE INHIBITION OF PORCINE PANCREATIC ELASTASE BY A PEPTIDYL BORONIC ACID: STRUCTURE OF A REACTION INTERMEDIATE===




==Overview==
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The crystal structure of porcine pancreatic elastase (PPE) complexed to carbobenzoxy-alanylisoleucine-boronic acid (ZAIB) is reported to 2.09-A resolution and refined to an R factor of 0.15. This is the first reported structural analysis of PPE with an isoleucine residu in the primary specificity pocket. The results include (1) marked displacement of the inhibitor out of the active site leading to (2) a close (2.2 A) direct contact between B (boron atom of the inhibitor) and N epsilon of His-57 and also (3) covalent bonding (1.5 A) to O gamma of Ser-195. A scheme for the mechanism of inhibition of PPE by ZAIB is proposed. A comparison with a peptidyl difluoromethyl ketone-PPE complex (Ki = 9.5 microns) is made to explain the strong inhibition of PPE by ZAIB (Ki = 0.3 micron). These results lead us to characterize this structure as a time- and space-averaged reaction intermediate, providing fresh insight into the cramped dimensions available in enzymatic catalyses.
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{{ABSTRACT_PUBMED_2611205}}


==About this Structure==
==About this Structure==
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[[Category: Rosenfieldjunior, R E.]]
[[Category: Rosenfieldjunior, R E.]]
[[Category: Takahashi, L H.]]
[[Category: Takahashi, L H.]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:33:55 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jul 3 14:01:43 2008''

Revision as of 11:01, 3 July 2008

File:5est.png

Template:STRUCTURE 5est

CRYSTALLOGRAPHIC ANALYSIS OF THE INHIBITION OF PORCINE PANCREATIC ELASTASE BY A PEPTIDYL BORONIC ACID: STRUCTURE OF A REACTION INTERMEDIATE

Template:ABSTRACT PUBMED 2611205

About this Structure

5EST is a Single protein structure. Full crystallographic information is available from OCA.

Reference

Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate., Takahashi LH, Radhakrishnan R, Rosenfield RE Jr, Meyer EF Jr, Biochemistry. 1989 Sep 19;28(19):7610-7. PMID:2611205

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