4D78
Cytochrome P450 3A4 bound to an inhibitor
Summary for 4D78
| Entry DOI | 10.2210/pdb4d78/pdb |
| Related | 4D6Z 4D75 4D7D |
| Descriptor | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate, ... (5 entities in total) |
| Functional Keywords | oxidoreductase, monooxygenase, human cyp3a4, inhibitory complex |
| Biological source | HOMO SAPIENS (HUMAN) |
| Total number of polymer chains | 1 |
| Total formula weight | 56988.06 |
| Authors | Sevrioukova, I.,Poulos, T. (deposition date: 2014-11-21, release date: 2015-09-23, Last modification date: 2023-12-20) |
| Primary citation | Kaur, P.,Chamberlin, R.,Poulos, T.L.,Sevrioukova, I.F. Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59:4210-, 2016 Cited by PubMed: 26371436DOI: 10.1021/ACS.JMEDCHEM.5B01146 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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