8EWR

Crystal structure of CYP3A4 bound to an inhibitor

Summary for 8EWR

• Entry DOI: 10.2210/pdb8ewr/pdb
• Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+), ... (4 entities in total)
• Functional Keywords: cytochrome p450, cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 57408.51

Authors

Sevrioukova, I.F. (deposition date: 2022-10-24, release date: 2023-02-01, Last modification date: 2023-10-25)

• Primary citation: Denison, M.,Ahrens, J.J.,Dunbar, M.N.,Warmahaye, H.,Majeed, A.,Turro, C.,Kocarek, T.A.,Sevrioukova, I.F.,Kodanko, J.J.; Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4.; Inorg.Chem., 62:3305-3320, 2023; PubMed: 36758158; DOI: 10.1021/acs.inorgchem.3c00059

Experimental method

X-RAY DIFFRACTION (2.2 Å)