6GEQ

Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a

Summary for 6GEQ

Entry DOI	10.2210/pdb6geq/pdb
Descriptor	Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, ... (5 entities in total)
Functional Keywords	inhibitor complex p450, antibiotic, oxidoreductase
Biological source	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Total number of polymer chains	1
Total formula weight	44469.87
Authors	Levy, C.W. (deposition date: 2018-04-27, release date: 2019-08-07, Last modification date: 2024-01-17)
Primary citation	Kishk, S.M.,McLean, K.J.,Sood, S.,Smith, D.,Evans, J.W.D.,Helal, M.A.,Gomaa, M.S.,Salama, I.,Mostafa, S.M.,de Carvalho, L.P.S.,Levy, C.W.,Munro, A.W.,Simons, C. Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors. Chemistryopen, 8:995-1011, 2019 Cited by PubMed: 31367508 DOI: 10.1002/open.201900227 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation