7KVM
Human CYP3A4 bound to an inhibitor
Summary for 7KVM
| Entry DOI | 10.2210/pdb7kvm/pdb |
| Descriptor | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate (3 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 | 1 |
| Total formula weight | 56922.05 |
| 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: 33467005DOI: 10.3390/ijms22020852 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.75 Å) |
Structure validation
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