2OQW

The crystal structure of sortase B from B.anthracis in complex with AAEK1

2OQW の概要

• エントリーDOI: 10.2210/pdb2oqw/pdb
• 分子名称: Sortase B (2 entities in total)
• 機能のキーワード: sortaseb protein, inhibitor, b. anthracis, the great lakes regional center of excellence, glrce, hydrolase
• 由来する生物種: Bacillus anthracis str.
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 26928.53

構造登録者

Wu, R.,Zhang, R.,Marresso, A.W.,Schneewind, O.,Joachimiak, A. (登録日: 2007-02-01, 公開日: 2007-06-19, 最終更新日: 2023-12-27)

主引用文献

Maresso, A.W.,Wu, R.,Kern, J.W.,Zhang, R.,Janik, D.,Missiakas, D.M.,Duban, M.E.,Joachimiak, A.,Schneewind, O.
Activation of inhibitors by sortase triggers irreversible modification of the active site.
J.Biol.Chem., 282:23129-23139, 2007

PubMed Abstract: 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.

PubMed: 17545669
DOI: 10.1074/jbc.M701857200

実験手法

X-RAY DIFFRACTION (2.1 Å)