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: 2020-05-20)

• 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; PubMed: 32196311; DOI: 10.1021/acsinfecdis.9b00493

Experimental method

X-RAY DIFFRACTION (1.533 Å)