3IME

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid

Summary for 3IME

Entry DOI	10.2210/pdb3ime/pdb
Related	3COV 3IMC 3IMG
Descriptor	Pantothenate synthetase, 1-benzofuran-2-carboxylic acid, GLYCEROL, ... (5 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
Cellular location	Cytoplasm (Potential): P0A5R0
Total number of polymer chains	2
Total formula weight	63742.96
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: 19780086 DOI: 10.1002/anie.200903821 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.39 Å)

Structure validation