4X6T

M.tuberculosis betalactamase complexed with inhibitor EC19

4X6T の概要

• エントリーDOI: 10.2210/pdb4x6t/pdb
• 分子名称: Beta-lactamase, PHOSPHATE ION, 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, ... (4 entities in total)
• 機能のキーワード: beta-lactamase, transition state inhibitor, structure based drug development, beta-lactams, boronates, penicillin binding protein., hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• 細胞内の位置: Cell inner membrane : P9WKD3
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29317.72

構造登録者

Hazra, S. (登録日: 2014-12-09, 公開日: 2015-12-23, 最終更新日: 2023-09-27)

• 主引用文献: Kurz, S.G.,Hazra, S.,Bethel, C.R.,Romagnoli, C.,Caselli, E.,Prati, F.,Blanchard, J.S.,Bonomo, R.A.; Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).; ACS Infect Dis, 1:234-242, 2015; PubMed: 27622739; DOI: 10.1021/acsinfecdis.5b00003

実験手法

X-RAY DIFFRACTION (1.4 Å)