7KVK
Human CYP3A4 bound to an inhibitor
Summary for 7KVK
Entry DOI | 10.2210/pdb7kvk/pdb |
Descriptor | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate, ... (7 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 | 114022.02 |
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: 33467005DOI: 10.3390/ijms22020852 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.55 Å) |
Structure validation
Download full validation report