5JFO

Structure of the M.tuberculosis enoyl-reductase InhA in complex with GSK625

Summary for 5JFO

• Entry DOI: 10.2210/pdb5jfo/pdb
• Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine, ... (4 entities in total)
• Functional Keywords: antitubercular, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 4
• Total formula weight: 118544.39

Authors

Gulten, G.,Sacchettini, J.C. (deposition date: 2016-04-19, release date: 2016-08-10, Last modification date: 2023-09-27)

• Primary citation: Martinez-Hoyos, M.,Perez-Herran, E.,Gulten, G.,Encinas, L.,Alvarez-Gomez, D.,Alvarez, E.,Ferrer-Bazaga, S.,Garcia-Perez, A.,Ortega, F.,Angulo-Barturen, I.,Rullas-Trincado, J.,Blanco Ruano, D.,Torres, P.,Castaneda, P.,Huss, S.,Fernandez Menendez, R.,Gonzalez Del Valle, S.,Ballell, L.,Barros, D.,Modha, S.,Dhar, N.,Signorino-Gelo, F.,McKinney, J.D.,Garcia-Bustos, J.F.,Lavandera, J.L.,Sacchettini, J.C.,Jimenez, M.S.,Martin-Casabona, N.,Castro-Pichel, J.,Mendoza-Losana, A.; Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.; Ebiomedicine, 8:291-301, 2016; PubMed: 27428438; DOI: 10.1016/j.ebiom.2016.05.006

Experimental method

X-RAY DIFFRACTION (2.907 Å)