6BD7

Crystal structure of human CYP3A4 bound to an inhibitor

Summary for 6BD7

• Entry DOI: 10.2210/pdb6bd7/pdb
• Related: 6BCZ 6BD5 6BD6 6BD8 6BDH 6BDI 6BDK 6BDM
• Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate (3 entities in total)
• Functional Keywords: monooxygenase, inhibitor, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 56860.97

Authors

Sevrioukova, I. (deposition date: 2017-10-21, release date: 2017-12-13, Last modification date: 2023-10-04)

• Primary citation: Samuels, E.R.,Sevrioukova, I.F.; Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay; Mol. Pharm., 2017

Experimental method

X-RAY DIFFRACTION (2.42 Å)