7KER

avibactam-CDD-1 45 minute complex

7KER の概要

• エントリーDOI: 10.2210/pdb7ker/pdb
• 分子名称: Beta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, ... (7 entities in total)
• 機能のキーワード: antibiotic resistance, mutant, gram-positive, inhibitor, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Clostridioides difficile
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37412.35

構造登録者

Smith, C.A.,Vakulenko, S.B.,Stewart, N.K.,Toth, M. (登録日: 2020-10-12, 公開日: 2021-01-20, 最終更新日: 2025-04-02)

主引用文献

Stewart, N.K.,Toth, M.,Stasyuk, A.,Lee, M.,Smith, C.A.,Vakulenko, S.B.
Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7:1164-1176, 2021

PubMed Abstract: Avibactam is a potent diazobicyclooctane inhibitor of class A and C β-lactamases. The inhibitor also exhibits variable activity against some class D enzymes from Gram-negative bacteria; however, its interaction with recently discovered class D β-lactamases from Gram-positive bacteria has not been studied. Here, we describe microbiological, kinetic, and mass spectrometry studies of the interaction of avibactam with CDD-1, a class D β-lactamase from the clinically important pathogen , and show that avibactam is a potent irreversible mechanism-based inhibitor of the enzyme. X-ray crystallographic studies at three time-points demonstrate the rapid formation of a stable CDD-1-avibactam acyl-enzyme complex and highlight differences in the anchoring of the inhibitor by class D enzymes from Gram-positive and Gram-negative bacteria.

PubMed: 33390002
DOI: 10.1021/acsinfecdis.0c00714

実験手法

X-RAY DIFFRACTION (1.93 Å)