5COQ

The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility

5COQ の概要

• エントリーDOI: 10.2210/pdb5coq/pdb
• 関連するPDBエントリー: 5CP8 5CPF
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... (5 entities in total)
• 機能のキーワード: fatty acid biosynthesis slow-onset inhibition crystallographic disorder molecular dynamics simulation, oxidoreductase
• 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: 126606.58

構造登録者

Li, H.-J.,Lai, C.-T.,Liu, N.,Yu, W.,Shah, S.,Bommineni, G.R.,Perrone, V.,Garcia-Diaz, M.,Tonge, P.J.,Simmerling, C. (登録日: 2015-07-20, 公開日: 2015-08-05, 最終更新日: 2024-03-06)

• 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 (2.3 Å)