X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem

X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem Descriptor: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ... Authors: Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. Deposit date: 2023-05-04 Release date: 2024-05-22 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants. J.Mol.Biol., 436, 2024

本数据集为鲍曼不动杆菌（Acinetobacter baumannii）β-内酰胺酶（beta-lactamase）变体OXA-82 K83D与多尼培南（doripenem）形成复合物的X射线晶体结构。结构描述符为：(4R,5S)-5-[(2S,3R)-3-羟基-1-氧代丁-2-基]-4-甲基-3-({(3S,5S)-5-[(磺酰氨基)甲基]吡咯烷-3-基}硫基)-4,5-二氢-1H-吡咯-2-羧酸；涉及组分包含β-内酰胺酶OXA-82、柠檬酸根阴离子（CITRATE ANION）等。作者为Powers, R.A、Leonard, D.A、June, C.M、Szarecka, A、Wawrzak, Z。数据存储日期：2023-05-04；发布日期：2024-05-22；最后修改日期：2024-10-30。实验解析方法为X射线衍射（分辨率1.78 Å）。相关引用文献：《鲍曼不动杆菌OXA-66型β-内酰胺酶的结构与动态特征及其稳定性和新变体演化》（原标题：Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants），发表于《分子生物学杂志（J. Mol. Biol.）》，2024年，第436卷。