6SQL

Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide

6SQL の概要

• エントリーDOI: 10.2210/pdb6sql/pdb
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide, ... (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 H37Rv
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29672.17

構造登録者

Mendes, V.,Sabbah, M.,Coyne, A.G.,Abell, C.,Blundell, T.L. (登録日: 2019-09-04, 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 (2.35 Å)