7NQO
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21
Summary for 7NQO
Entry DOI | 10.2210/pdb7nqo/pdb |
Descriptor | Mycocyclosin synthase, HEME C, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, ... (8 entities in total) |
Functional Keywords | mycobacterium tuberculosis, heme-binding, inhibitor, complex, metal binding protein |
Biological source | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Total number of polymer chains | 1 |
Total formula weight | 45715.72 |
Authors | Selvam, I.R. (deposition date: 2021-03-01, release date: 2022-02-02, Last modification date: 2024-01-31) |
Primary citation | Frederickson, M.,Selvam, I.R.,Evangelopoulos, D.,McLean, K.J.,Katariya, M.M.,Tunnicliffe, R.B.,Campbell, B.,Kavanagh, M.E.,Charoensutthivarakul, S.,Blankley, R.T.,Levy, C.W.,de Carvalho, L.P.S.,Leys, D.,Munro, A.W.,Coyne, A.G.,Abell, C. A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230:114105-114105, 2022 Cited by PubMed: 35065413DOI: 10.1016/j.ejmech.2022.114105 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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