5est

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[[Image:5est.gif|left|200px]]
[[Image:5est.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 5est |SIZE=350|CAPTION= <scene name='initialview01'>5est</scene>, resolution 2.09&Aring;
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The line below this paragraph, containing "STRUCTURE_5est", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=B2I:ISOLEUCINE+BORONIC+ACID'>B2I</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PHQ:FORMIC+ACID+BENZYL+ESTER'>PHQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_5est| PDB=5est | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5est FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5est OCA], [http://www.ebi.ac.uk/pdbsum/5est PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=5est RCSB]</span>
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}}
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'''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'''
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==About this Structure==
==About this Structure==
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5EST is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EST OCA].
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5EST is a [[Single protein]] structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EST OCA].
==Reference==
==Reference==
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[[Category: Rosenfieldjunior, R E.]]
[[Category: Rosenfieldjunior, R E.]]
[[Category: Takahashi, L H.]]
[[Category: Takahashi, L H.]]
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[[Category: hydrolase(serine proteinase)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:33:55 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:41:22 2008''
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Revision as of 19:33, 4 May 2008

Image:5est.gif

Template:STRUCTURE 5est

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


Overview

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.

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 Page seeded by OCA on Sun May 4 22:33:55 2008

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