5LI6

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide

Summary for 5LI6

• Entry DOI: 10.2210/pdb5li6/pdb
• Descriptor: Putative cytochrome P450 126, PROTOPORPHYRIN IX CONTAINING FE, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide, ... (4 entities in total)
• Functional Keywords: monoxygenase, cytochrome p450, oxidoreducatse, oxidoreductase
• Biological source: Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
• Total number of polymer chains: 2
• Total formula weight: 94075.60

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; PubMed: 27932461; DOI: 10.1074/jbc.M116.748822

Experimental method

X-RAY DIFFRACTION (1.95 Å)