7NQM

Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10

Summary for 7NQM

Entry DOI	10.2210/pdb7nqm/pdb
Descriptor	Mycocyclosin synthase, HEME C, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, ... (7 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	46501.05
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: 35065413 DOI: 10.1016/j.ejmech.2022.114105 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation