4i4g Summary details

pdbe.org/4i4g/summary_details
spacer Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir
Summary
Header OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 2.718 Å, R-factor: 20.661%, Free R-factor: 26.971%, Spacegroup: I 2 2 2
Released 24/04/2013, deposition: 27/11/2012, last revision: 22/05/2013
Authors Sevrioukova, I.F.search; Poulos, T.L.search
Primary citation Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.MED.CHEM.search vol:56, pag:3733-3741 (2013) [PubMed 23586711 ]search
Keywords monooxygenasesearch, cytochrome P450 reductasesearch, cytochrome b5search, endoplasmic reticulumsearch, cytochrome P450search, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complexsearch
EC 1.14.13.32 ExPASy BRENDA search 1.14.13.67 ExPASy BRENDA search 1.14.13.97 ExPASy BRENDA search 1.14.13.157 ExPASy BRENDA search (A)
Organism Homo sapiens(human) 9606search(A)
UniProt P08684search (A)
Solvent A
Related entries 3nxu
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A Cytochrome P450 3A4 Protein P08684 (CP3A4_HUMAN)search
487 94%
Heterogens
Chain Id Name Ligands
A PROTOPORPHYRIN IX CONTAINING FE HEM search
A N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL]METHYL}CARBAMOYL)-N-[(2R,5R)-5-{[(1,3-OXAZOL-5-YLMETHOXY)CARBONYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]-L-VALINAMIDE Z8Z search
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