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TitleTo Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Journal, issue, pagesInorg. Chem., Vol. 61, Page 236-245, Year 2022
Publish dateAug 21, 2019 (structure data deposition date)
AuthorsPodgorski, M.N. / Coleman, T. / Giang, P.D. / Wang, C.R. / Bruning, J.B. / Bernhardt, P.V. / De Voss, J.J. / Bell, S.G.
External linksInorg. Chem. / PubMed:34910500
MethodsX-ray diffraction
Resolution1.537 - 1.578 Å
Structure data

PDB-6u31:
The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4
Method: X-RAY DIFFRACTION / Resolution: 1.578 Å

PDB-7n14:
Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4
Method: X-RAY DIFFRACTION / Resolution: 1.537 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-PQP:
4-(1H-imidazol-1-yl)benzoic acid

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ZRS:
4-(1H-1,2,4-triazol-1-yl)benzoic acid

Source
  • rhodopseudomonas palustris (strain haa2) (phototrophic)
KeywordsOXIDOREDUCTASE / Cytochrome P450 / 4-(1H-imidazol-1-yl)benzoic acid / OXIDOREDUCTASE/INHIBITOR / inhibitor / triazole / OXIDOREDUCTASE-INHIBITOR complex

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