4OXY

Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA

4OXY の概要

• エントリーDOI: 10.2210/pdb4oxy/pdb
• 関連するPDBエントリー: 2B36 2X23 4OHU 4OXK 4OXN
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-hexyl-2-(2-nitrophenoxy)phenol, ... (4 entities in total)
• 機能のキーワード: bacterial fatty acid biosynthesis, enzyme-inhibitor complex, substrate-binding loop refolding, conformational heterogeneity, 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: 126819.68

構造登録者

Li, H.J.,Sullivan, T.J.,Pan, P.,Lai, C.T.,Liu, N.,Garcia-Diaz, M.,Simmerling, C.,Tonge, P.J. (登録日: 2014-02-09, 公開日: 2014-04-30, 最終更新日: 2023-09-27)

• 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 (2.3501 Å)