3IUE

Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid

Summary for 3IUE

Entry DOI	10.2210/pdb3iue/pdb
Related	3IMC 3IMG 3IUB 3IVC 3IVG 3IVX
Descriptor	Pantothenate synthetase, (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, GLYCEROL, ... (6 entities in total)
Functional Keywords	mycobacterium tuberculosis, pantothenate synthetase, fragment-based lead discovery, atp-binding, 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	65708.13
Authors	Silvestre, H.L.,Wen, S.,Hung, A.W.,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 (1.73 Å)

Structure validation