6Y2I
Crystal structure of M. tuberculosis KasA in complex with N-(1H-indazol-5-yl)butane-1-sulfonamide
This is a non-PDB format compatible entry.
Summary for 6Y2I
Entry DOI | 10.2210/pdb6y2i/pdb |
Descriptor | 3-oxoacyl-[acyl-carrier-protein] synthase 1, 1,2-ETHANEDIOL, ~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide, ... (6 entities in total) |
Functional Keywords | inhibitor, kasa, mycobacterium tuberculosis, 3-oxoacyl-[acyl-carrier-protein] synthase 1, transferase, acyltransferase, lipid synthesis, fatty acid biosynthesis |
Biological source | Mycobacterium tuberculosis H37Rv |
Total number of polymer chains | 2 |
Total formula weight | 92362.04 |
Authors | Chung, C. (deposition date: 2020-02-16, release date: 2020-04-08, Last modification date: 2024-05-15) |
Primary citation | Cunningham, F.,Esquivias, J.,Fernandez-Menendez, R.,Perez, A.,Guardia, A.,Escribano, J.,Rivero, C.,Vimal, M.,Cacho, M.,de Dios-Anton, P.,Martinez-Martinez, M.S.,Jimenez, E.,Huertas Valentin, L.,Rebollo-Lopez, M.J.,Lopez-Roman, E.M.,Sousa-Morcuende, V.,Rullas, J.,Neu, M.,Chung, C.W.,Bates, R.H. Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite. Acs Infect Dis., 6:1098-1109, 2020 Cited by PubMed: 32196311DOI: 10.1021/acsinfecdis.9b00493 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.533 Å) |
Structure validation
Download full validation report