4I4G

Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir

Summary for 4I4G

Entry DOI	10.2210/pdb4i4g/pdb
Related	3NXU
Descriptor	Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, ... (4 entities in total)
Functional Keywords	monooxygenase, cytochrome p450 reductase, cytochrome b5, endoplasmic reticulum, cytochrome p450, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Endoplasmic reticulum membrane; Single-pass membrane protein: P08684
Total number of polymer chains	1
Total formula weight	57063.18
Authors	Sevrioukova, I.F.,Poulos, T.L. (deposition date: 2012-11-27, release date: 2013-04-24, Last modification date: 2023-09-20)
Primary citation	Sevrioukova, I.F.,Poulos, T.L. Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir. J.Med.Chem., 56:3733-3741, 2013 Cited by PubMed: 23586711 DOI: 10.1021/jm400288z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.718 Å)

Structure validation