4OHU

Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92

4OHU の概要

• エントリーDOI: 10.2210/pdb4ohu/pdb
• 関連するPDBエントリー: 4OIM
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-(2-bromophenoxy)-5-hexylphenol, ... (4 entities in total)
• 機能のキーワード: catalysis, inhibition, slow-onset inhibition, induced-fit, conformational change, simulation, binding pathway, binding energy, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 126955.27

構造登録者

Li, H.J.,Pan, P.,Lai, C.T.,Liu, N.,Yu, W.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. (登録日: 2014-01-18, 公開日: 2014-04-30, 最終更新日: 2023-09-20)

• 主引用文献: Li, H.J.,Lai, C.T.,Pan, P.,Yu, W.,Liu, N.,Bommineni, G.R.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J.; A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.; Acs Chem.Biol., 9:986-993, 2014; PubMed: 24527857; DOI: 10.1021/cb400896g

実験手法

X-RAY DIFFRACTION (1.598 Å)