7UAZ

Crystal structure of human CYP3A4 with the caged inhibitor

Summary for 7UAZ

Entry DOI	10.2210/pdb7uaz/pdb
Descriptor	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)
Functional Keywords	cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	57239.36
Authors	Sevrioukova, I.F. (deposition date: 2022-03-14, release date: 2022-08-31, Last modification date: 2023-10-18)
Primary citation	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 Cited by PubMed: 35994607 DOI: 10.1021/acs.inorgchem.2c02587 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.65 Å)

Structure validation