7UAZ

Crystal structure of human CYP3A4 with the caged inhibitor

7UAZ の概要

• エントリーDOI: 10.2210/pdb7uaz/pdb
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium (3 entities in total)
• 機能のキーワード: cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase-inhibitor complex, 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: 57239.36

構造登録者

Sevrioukova, I.F. (登録日: 2022-03-14, 公開日: 2022-08-31, 最終更新日: 2023-10-18)

• 主引用文献: Denison, M.,Steinke, S.J.,Majeed, A.,Turro, C.,Kocarek, T.A.,Sevrioukova, I.F.,Kodanko, J.J.; Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy.; Inorg.Chem., 61:13673-13677, 2022; PubMed: 35994607; DOI: 10.1021/acs.inorgchem.2c02587

実験手法

X-RAY DIFFRACTION (2.65 Å)