6DAG

Human CYP3A4 bound to an inhibitor

6DAG の概要

• エントリーDOI: 10.2210/pdb6dag/pdb
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate (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: 56894.00

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 (2.8 Å)