6SQ5

Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid

6SQ5 の概要

• エントリーDOI: 10.2210/pdb6sq5/pdb
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, ... (4 entities in total)
• 機能のキーワード: inha, nadh-dependent enoyl-[acyl-carrier-protein] reductase, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29521.44

構造登録者

Mendes, V.,Sabbah, M.,Coyne, A.G.,Abell, C.,Blundell, T.L. (登録日: 2019-09-03, 公開日: 2020-04-22, 最終更新日: 2024-01-24)

• 主引用文献: Sabbah, M.,Mendes, V.,Vistal, R.G.,Dias, D.M.G.,Zahorszka, M.,Mikusova, K.,Kordulakova, J.,Coyne, A.G.,Blundell, T.L.,Abell, C.; Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.; J.Med.Chem., 63:4749-4761, 2020; PubMed: 32240584; DOI: 10.1021/acs.jmedchem.0c00007

実験手法

X-RAY DIFFRACTION (1.84 Å)