9COT

Crystal structure of CYP3A4 bound to an inhibitor

This is a non-PDB format compatible entry.

Summary for 9COT

• Entry DOI: 10.2210/pdb9cot/pdb
• Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, (2R)-3-phenyl-2-{[(2S)-3-phenyl-2-(2,2,2-trifluoroacetamido)propyl]sulfanyl}-N-[3-(pyridin-3-yl)propyl]propanamide (3 entities in total)
• Functional Keywords: cytochrome p450, cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 56903.92

Authors

Sevrioukova, I.F. (deposition date: 2024-07-17, release date: 2025-01-08)

• Primary citation: Samuels, E.R.,Sevrioukova, I.F.; Evaluation of larger side-group functionalities and the side/end-group interplay in ritonavir-like inhibitors of CYP3A4; Chem.Biol.Drug Des., 2025

Experimental method

X-RAY DIFFRACTION (2.81 Å)