3IVX

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

Summary for 3IVX

Entry DOI	10.2210/pdb3ivx/pdb
Related	3IMC 3IMG 3IUB 3IUE 3IVC 3IVG
Descriptor	Pantothenate synthetase, {2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid, ETHANOL, ... (6 entities in total)
Functional Keywords	pantothenate synthetase, mycobacterium tuberculosis, 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	65152.47
Authors	Silvestre, H.L.,Hung, A.W.,Wen, S.,Ciulli, A.,Blundell, T.L.,Abell, C. (deposition date: 2009-09-02, 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