7R1I

Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor

Summary for 7R1I

Entry DOI	10.2210/pdb7r1i/pdb
Related	7QKE 7QNN 7QWN
Descriptor	Steroid C26-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate, ... (6 entities in total)
Functional Keywords	cyp, 125, tuberculosis, inhibitor, cholesterol, oxidase, cyp125, p450, cytochrome, oxidoreductase
Biological source	Mycobacterium tuberculosis H37Rv
Total number of polymer chains	3
Total formula weight	143804.68
Authors	Snee, M.,Katariya, M.,Levy, C.,Leys, D. (deposition date: 2022-02-03, release date: 2023-02-15, Last modification date: 2024-02-07)
Primary citation	Katariya, M.M.,Snee, M.,Tunnicliffe, R.B.,Kavanagh, M.E.,Boshoff, H.I.M.,Amadi, C.N.,Levy, C.W.,Munro, A.W.,Abell, C.,Leys, D.,Coyne, A.G.,McLean, K.J. Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29:e202203868-e202203868, 2023 Cited by PubMed: 36912255 DOI: 10.1002/chem.202203868 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.24 Å)

Structure validation