5CPF

Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme

5CPF の概要

• エントリーDOI: 10.2210/pdb5cpf/pdb
• 関連するPDBエントリー: 5COQ 5CP8
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol (3 entities in total)
• 機能のキーワード: fatty acid biosynthesis inhibition substrate binding loop conformation free energy calculation, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 126819.53

構造登録者

Li, H.-J.,Lai, C.-T.,Pan, P.,Yu, W.,Shah, S.,Bommineni, G.R.,Perrone, V.,Garcia-Diaz, M.,Tonge, P.J.,Simmerling, C. (登録日: 2015-07-21, 公開日: 2015-08-12, 最終更新日: 2023-09-27)

• 主引用文献: Lai, C.T.,Li, H.J.,Yu, W.,Shah, S.,Bommineni, G.R.,Perrone, V.,Garcia-Diaz, M.,Tonge, P.J.,Simmerling, C.; Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.; Biochemistry, 54:4683-4691, 2015; PubMed: 26147157; DOI: 10.1021/acs.biochem.5b00284

実験手法

X-RAY DIFFRACTION (3.409 Å)