5LI8

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole

Summary for 5LI8

Entry DOI	10.2210/pdb5li8/pdb
Descriptor	Putative cytochrome P450 126, PROTOPORPHYRIN IX CONTAINING FE, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, ... (4 entities in total)
Functional Keywords	monoxygenase, cytochrome p450, oxidoreductase
Biological source	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Total number of polymer chains	1
Total formula weight	47158.81
Authors	Levy, C.,Munro, A.W.,Leys, D. (deposition date: 2016-07-14, release date: 2016-12-21, Last modification date: 2024-01-10)
Primary citation	Chenge, J.T.,Duyet, L.V.,Swami, S.,McLean, K.J.,Kavanagh, M.E.,Coyne, A.G.,Rigby, S.E.,Cheesman, M.R.,Girvan, H.M.,Levy, C.W.,Rupp, B.,von Kries, J.P.,Abell, C.,Leys, D.,Munro, A.W. Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292:1310-1329, 2017 Cited by PubMed: 27932461 DOI: 10.1074/jbc.M116.748822 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.83 Å)

Structure validation