7KVM

Human CYP3A4 bound to an inhibitor

7KVM の概要

• エントリーDOI: 10.2210/pdb7kvm/pdb
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate (3 entities in total)
• 機能のキーワード: cyp3a4, inhibitor, complex, 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: 56922.05

構造登録者

Sevrioukova, I. (登録日: 2020-11-28, 公開日: 2021-01-20, 最終更新日: 2023-10-18)

• 主引用文献: Samuels, E.R.,Sevrioukova, I.F.; Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.; Int J Mol Sci, 22:-, 2021; PubMed: 33467005; DOI: 10.3390/ijms22020852

実験手法

X-RAY DIFFRACTION (2.75 Å)