6DA8

Human CYP3A4 bound to an inhibitor

6DA8 の概要

• エントリーDOI: 10.2210/pdb6da8/pdb
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide (3 entities in total)
• 機能のキーワード: oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 56862.92

構造登録者

Sevrioukova, I.F. (登録日: 2018-05-01, 公開日: 2019-04-03, 最終更新日: 2023-10-04)

• 主引用文献: Samuels, E.R.,Sevrioukova, I.; Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.; Biochemistry, 58:2077-2087, 2019; PubMed: 30912932; DOI: 10.1021/acs.biochem.9b00156

実験手法

X-RAY DIFFRACTION (2.802 Å)