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: 20232910DOI: 10.1021/ja100595u PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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