3LE8

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid

Summary for 3LE8

Entry DOI	10.2210/pdb3le8/pdb
Descriptor	Pantothenate synthetase, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ... (6 entities in total)
Functional Keywords	fragment-based drug discovery, iloe, fragment linking, atp-binding, cytoplasm, ligase, magnesium, metal-binding, nucleotide-binding, pantothenate biosynthesis
Biological source	Mycobacterium tuberculosis
Cellular location	Cytoplasm (Potential): P0A5R0
Total number of polymer chains	2
Total formula weight	64481.74
Authors	Silvestre, H.L.,Hung, A.W.,Sledz, P.,Ciulli, A.,Blundell, T.L.,Abell, C. (deposition date: 2010-01-14, release date: 2010-04-14, Last modification date: 2023-09-06)
Primary citation	Sledz, P.,Silvestre, H.L.,Hung, A.W.,Ciulli, A.,Blundell, T.L.,Abell, C. Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase. J.Am.Chem.Soc., 132:4544-4545, 2010 Cited by PubMed: 20232910 DOI: 10.1021/ja100595u PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation