3SB0

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor

Summary for 3SB0

Entry DOI	10.2210/pdb3sb0/pdb
Related	1N8I 1N8W 3S9I 3S9Z 3SAD 3SAZ
Descriptor	Malate synthase G, MAGNESIUM ION, 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid, ... (4 entities in total)
Functional Keywords	inhibitor complex, structural genomics, mycobacterium tuberculosis structural proteomics project, xmtb, malate synthase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	80788.28
Authors	Krieger, I.V.,Sun, Q.,Sacchettini, J.C.,Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) (deposition date: 2011-06-03, release date: 2012-11-07, Last modification date: 2023-09-13)
Primary citation	Krieger, I.V.,Freundlich, J.S.,Gawandi, V.B.,Roberts, J.P.,Gawandi, V.B.,Sun, Q.,Owen, J.L.,Fraile, M.T.,Huss, S.I.,Lavandera, J.L.,Ioerger, T.R.,Sacchettini, J.C. Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19:1556-1567, 2012 Cited by PubMed: 23261599 DOI: 10.1016/j.chembiol.2012.09.018 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.199 Å)

Structure validation