3IMG
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic acid
Summary for 3IMG
Entry DOI | 10.2210/pdb3img/pdb |
Related | 3COV 3IMC 3IME |
Descriptor | Pantothenate synthetase, 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ... (7 entities in total) |
Functional Keywords | mycobacterium tuberculosis, pantothenate biosynthesis, enzymes, ligase, drug design, fragment-based, atp-binding, magnesium, metal-binding, nucleotide-binding |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 2 |
Total formula weight | 64233.41 |
Authors | Ciulli, A.,Hung, A.W.,Silvestre, H.L.,Wen, S.,Blundell, T.L.,Abell, C. (deposition date: 2009-08-10, release date: 2009-10-13, Last modification date: 2023-09-06) |
Primary citation | Hung, A.W.,Silvestre, H.L.,Wen, S.,Ciulli, A.,Blundell, T.L.,Abell, C. Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. Angew.Chem.Int.Ed.Engl., 48:8452-8456, 2009 Cited by PubMed: 19780086DOI: 10.1002/anie.200903821 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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