6UNJ
Human CYP3A4 bound to an inhibitor
Summary for 6UNJ
| Entry DOI | 10.2210/pdb6unj/pdb |
| Related | 6UNE 6UNG 6UNH 6UNI |
| Descriptor | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-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 | 2 |
| Total formula weight | 113888.11 |
| Authors | Sevrioukova, I. (deposition date: 2019-10-12, release date: 2020-02-05, Last modification date: 2023-10-11) |
| Primary citation | Samuels, E.R.,Sevrioukova, I.F. An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28:115349-115349, 2020 Cited by PubMed: 32044230DOI: 10.1016/j.bmc.2020.115349 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
Download full validation report
