4I4G

Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir

4I4G の概要

• エントリーDOI: 10.2210/pdb4i4g/pdb
• 関連するPDBエントリー: 3NXU
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, ... (4 entities in total)
• 機能のキーワード: monooxygenase, cytochrome p450 reductase, cytochrome b5, endoplasmic reticulum, cytochrome p450, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane; Single-pass membrane protein: P08684
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 57063.18

構造登録者

Sevrioukova, I.F.,Poulos, T.L. (登録日: 2012-11-27, 公開日: 2013-04-24, 最終更新日: 2023-09-20)

• 主引用文献: Sevrioukova, I.F.,Poulos, T.L.; Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.; J.Med.Chem., 56:3733-3741, 2013; PubMed: 23586711; DOI: 10.1021/jm400288z

実験手法

X-RAY DIFFRACTION (2.718 Å)