6YUU

Crystal structure of M. tuberculosis InhA inhibited by SKTS1

6YUU の概要

• エントリーDOI: 10.2210/pdb6yuu/pdb
• 関連するPDBエントリー: 6YUR
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, ... (6 entities in total)
• 機能のキーワード: bacterial enoyl-acp reductase, diphenylether, residence time, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis CDC1551
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31969.26

構造登録者

Eltschkner, S.,Schiebel, J.,Kehrein, J.,Le, T.A.,Davoodi, S.,Merget, B.,Weinrich, J.D.,Tonge, P.J.,Engels, B.,Sotriffer, C.A.,Kisker, C. (登録日: 2020-04-27, 公開日: 2021-03-24, 最終更新日: 2024-01-24)

• 主引用文献: Eltschkner, S.,Kehrein, J.,Le, T.A.,Davoodi, S.,Merget, B.,Basak, S.,Weinrich, J.D.,Schiebel, J.,Tonge, P.J.,Engels, B.,Sotriffer, C.,Kisker, C.; A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.; Acs Infect Dis., 7:746-758, 2021; PubMed: 33710875; DOI: 10.1021/acsinfecdis.0c00437

実験手法

X-RAY DIFFRACTION (2.01 Å)