7QNN

Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant)

Summary for 7QNN

Entry DOI	10.2210/pdb7qnn/pdb
Descriptor	Steroid C26-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate, ... (4 entities in total)
Functional Keywords	p450, cyp, tuberculosis, cholesterol, inhibitor, complex, surface, entropy, reduction, cytochrome, oxidoreductase
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	47454.00
Authors	Snee, M.,Tunnicliffe, R.,Leys, D.,Levy, C.,Katariya, M. (deposition date: 2021-12-21, release date: 2022-12-28, 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 (2.47 Å)

Structure validation