2oqw
From Proteopedia
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==About this Structure== | ==About this Structure== | ||
| - | 2OQW is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ | + | 2OQW is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_anthracis_str._ames Bacillus anthracis str. ames]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OQW OCA]. |
==Reference== | ==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:[http://www.ncbi.nlm.nih.gov/pubmed/17545669 17545669] | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17545669 17545669] | ||
| - | [[Category: Bacillus anthracis]] | + | [[Category: Bacillus anthracis str. ames]] |
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: GLRCE, The Great Lakes Regional Center of Excellence.]] | ||
[[Category: Joachimiak, A.]] | [[Category: Joachimiak, A.]] | ||
[[Category: Marresso, A W.]] | [[Category: Marresso, A W.]] | ||
| Line 29: | Line 28: | ||
[[Category: Zhang, R.]] | [[Category: Zhang, R.]] | ||
[[Category: B. anthracis]] | [[Category: B. anthracis]] | ||
| + | [[Category: Glrce]] | ||
| + | [[Category: Hydrolase]] | ||
[[Category: Inhibitor]] | [[Category: Inhibitor]] | ||
[[Category: Sortaseb protein]] | [[Category: Sortaseb protein]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | [[Category: The great lakes regional center of excellence]] |
| + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 4 09:58:05 2008'' | ||
Revision as of 06:58, 4 June 2008
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 str. ames. 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 Page seeded by OCA on Wed Jun 4 09:58:05 2008
