7KVH

Human CYP3A4 bound to an inhibitor

Summary for 7KVH

Entry DOI	10.2210/pdb7kvh/pdb
Descriptor	Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate, ... (4 entities in total)
Functional Keywords	cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	113816.05
Authors	Sevrioukova, I. (deposition date: 2020-11-28, release date: 2021-01-20, Last modification date: 2023-10-18)
Primary citation	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 Cited by PubMed: 33467005 DOI: 10.3390/ijms22020852 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.791 Å)

Structure validation