7N14

Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4

Summary for 7N14

Entry DOI	10.2210/pdb7n14/pdb
Descriptor	Cytochrome P450, 4-(1H-1,2,4-triazol-1-yl)benzoic acid, PROTOPORPHYRIN IX CONTAINING FE, ... (5 entities in total)
Functional Keywords	cytochrome p450, inhibitor, triazole, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Rhodopseudomonas palustris (strain HaA2)
Total number of polymer chains	1
Total formula weight	45428.54
Authors	Podgorski, M.N.,Bruning, J.B.,Bell, S.G. (deposition date: 2021-05-26, release date: 2022-02-02, Last modification date: 2023-10-18)
Primary citation	Podgorski, M.N.,Coleman, T.,Giang, P.D.,Wang, C.R.,Bruning, J.B.,Bernhardt, P.V.,De Voss, J.J.,Bell, S.G. To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61:236-245, 2022 Cited by PubMed: 34910500 DOI: 10.1021/acs.inorgchem.1c02786 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.537 Å)

Structure validation