2oqw
From Proteopedia
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|PDB= 2oqw |SIZE=350|CAPTION= <scene name='initialview01'>2oqw</scene>, resolution 2.10Å | |PDB= 2oqw |SIZE=350|CAPTION= <scene name='initialview01'>2oqw</scene>, resolution 2.10Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=CS3:S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE'>CS3</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= BA_4783, BAS4438, GBAA4783 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1392 Bacillus anthracis]) | |GENE= BA_4783, BAS4438, GBAA4783 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1392 Bacillus anthracis]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2oqw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oqw OCA], [http://www.ebi.ac.uk/pdbsum/2oqw PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2oqw RCSB]</span> | ||
}} | }} | ||
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[[Category: the great lakes regional center of excellence (glrce)]] | [[Category: the great lakes regional center of excellence (glrce)]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:21:52 2008'' |
Revision as of 01:21, 31 March 2008
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| , resolution 2.10Å | |||||||
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| Ligands: | , | ||||||
| Gene: | BA_4783, BAS4438, GBAA4783 (Bacillus anthracis) | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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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