1blc

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[[Image:1blc.gif|left|200px]]
[[Image:1blc.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1blc |SIZE=350|CAPTION= <scene name='initialview01'>1blc</scene>, resolution 2.2&Aring;
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The line below this paragraph, containing "STRUCTURE_1blc", 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=CEM:N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-CISPROPENYL)AMINE'>CEM</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TEM:N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE'>TEM</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/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </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_1blc| PDB=1blc | 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=1blc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1blc OCA], [http://www.ebi.ac.uk/pdbsum/1blc PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1blc RCSB]</span>
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}}
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'''INHIBITION OF BETA-LACTAMASE BY CLAVULANATE: TRAPPED INTERMEDIATES IN CRYOCRYSTALLOGRAPHIC STUDIES'''
'''INHIBITION OF BETA-LACTAMASE BY CLAVULANATE: TRAPPED INTERMEDIATES IN CRYOCRYSTALLOGRAPHIC STUDIES'''
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[[Category: Chen, C C.H.]]
[[Category: Chen, C C.H.]]
[[Category: Herzberg, O.]]
[[Category: Herzberg, O.]]
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[[Category: hydrolase(acting in cyclic amides)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 11:39:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 19:03:20 2008''
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Revision as of 08:40, 2 May 2008

Image:1blc.gif

Template:STRUCTURE 1blc

INHIBITION OF BETA-LACTAMASE BY CLAVULANATE: TRAPPED INTERMEDIATES IN CRYOCRYSTALLOGRAPHIC STUDIES


Overview

Crystallographic studies of the complex between beta-lactamase and clavulanate reveal a structure of two acyl-enzymes with covalent bonds at the active site Ser70, representing two different stages of inhibitor degradation alternately occupying the active site. Models that are consistent with biochemical data are derived from the electron density map and refined at 2.2 A resolution: cis enamine, in which the carboxylate group of the clavulanate molecule makes a salt bridge with Lys234 of beta-lactamase; decarboxylated trans enamine, which is oriented away from Lys234. For both acyl-enzymes, the carbonyl oxygen atom of the ester group occupies the oxyanion hole in a manner similar to that found in inhibitor binding to serine proteases. Whereas the oxygen atom in the trans product is optimally positioned in the oxyanion hole, that of the cis product clashes with the main-chain nitrogen atom of Ser70 and the beta-carbon atom of the adjacent Ala69. In contrast to cis to trans isomerization in solution that relieves the steric strain inherent in a cis double bond, at the enzyme-inhibitor interface two additional factors play an important role. The salt bridge enhances the stability of the cis product, while the steric strain introduced by the short contacts with the protein reduces its stability.

About this Structure

1BLC is a Single protein structure of sequence from Staphylococcus aureus. Full crystallographic information is available from OCA.

Reference

Inhibition of beta-lactamase by clavulanate. Trapped intermediates in cryocrystallographic studies., Chen CC, Herzberg O, J Mol Biol. 1992 Apr 20;224(4):1103-13. PMID:1569569 Page seeded by OCA on Fri May 2 11:39:59 2008

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