6DAG
Human CYP3A4 bound to an inhibitor
Summary for 6DAG
| Entry DOI | 10.2210/pdb6dag/pdb |
| Descriptor | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate (3 entities in total) |
| Functional Keywords | oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 56894.00 |
| Authors | Sevrioukova, I.F. (deposition date: 2018-05-01, release date: 2019-04-03, Last modification date: 2023-10-04) |
| Primary citation | Samuels, E.R.,Sevrioukova, I. Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58:2077-2087, 2019 Cited by PubMed: 30912932DOI: 10.1021/acs.biochem.9b00156 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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