2oqw
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(New page: 200px<br /><applet load="2oqw" size="350" color="white" frame="true" align="right" spinBox="true" caption="2oqw, resolution 2.10Å" /> '''The crystal structur...)
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Revision as of 11:43, 23 January 2008
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The crystal structure of sortase B from B.anthracis in complex with AAEK1
Overview
Sortases anchor surface proteins to the cell wall of Gram-positive, pathogens through recognition of specific motif sequences. Loss of sortase, leads to large reductions in virulence, which identifies sortase as a, target for the development of antibacterials. By screening 135,625 small, molecules for inhibition, we report here that aryl (beta-amino)ethyl, ketones inhibit sortase enzymes from staphylococci and bacilli. Inhibition, of sortases occurs through an irreversible, covalent modification of their, active site cysteine. Sortases specifically activate this class of, molecules via beta-elimination, generating a reactive olefin intermediate, that covalently modifies the cysteine thiol. Analysis of the, three-dimensional structure of Bacillus anthracis sortase B with and, without inhibitor provides insights into the mechanism of inhibition and, reveals binding pockets that can be exploited for drug discovery.
About this Structure
2OQW is a Single protein structure of sequence from Bacillus anthracis. Full crystallographic information is available from OCA.
Reference
Activation of inhibitors by sortase triggers irreversible modification of the active site., Maresso AW, Wu R, Kern JW, Zhang R, Janik D, Missiakas DM, Duban ME, Joachimiak A, Schneewind O, J Biol Chem. 2007 Aug 10;282(32):23129-39. Epub 2007 Jun 1. PMID:17545669
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