3IUB

Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-1H-indole-2-carboxamide

Summary for 3IUB

Entry DOI	10.2210/pdb3iub/pdb
Related	3IMC 3IMG 3IUE 3IVC 3IVG 3IVX
Descriptor	Pantothenate synthetase, ETHANOL, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	pantothenate synthetase, mycobacterium tuberculosis, fragment-based lead discovery, 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	65015.43
Authors	Silvestre, H.L.,Hung, A.W.,Wen, S.,Ciulli, A.,Blundell, T.L.,Abell, C. (deposition date: 2009-08-31, 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: 19780086 DOI: 10.1002/anie.200903821 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation