6UNL

CYP3A4 bound to an inhibitor

Summary for 6UNL

Entry DOI	10.2210/pdb6unl/pdb
Related	6UNE 6UNG 6UNH 6UNI 6UNJ 6UNK
Descriptor	Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]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	1
Total formula weight	56980.09
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: 32044230 DOI: 10.1016/j.bmc.2020.115349 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.55 Å)

Structure validation