4DE5

Pantothenate synthetase in complex with fragment 6

Summary for 4DE5

Entry DOI	10.2210/pdb4de5/pdb
Related	4DDH 4DDK 4DDM
Descriptor	Pantothenate synthetase, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, GLYCEROL, ... (6 entities in total)
Functional Keywords	fragment-based drug discovery, protein in complex with fragment, alpha beta/adenine nucleotide alpha hydrolase-like, pantoate-beta-alanine ligase, pantoate and b-ala binding, ligase-ligase inhibitor complex, ligase/ligase inhibitor
Biological source	Mycobacterium tuberculosis
Cellular location	Cytoplasm (Potential): P0A5R0
Total number of polymer chains	2
Total formula weight	63903.13
Authors	Silvestre, H.L. (deposition date: 2012-01-19, release date: 2013-03-06, Last modification date: 2024-02-28)
Primary citation	Silvestre, H.L.,Blundell, T.L.,Abell, C.,Ciulli, A. Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110:12984-12989, 2013 Cited by PubMed: 23872845 DOI: 10.1073/pnas.1304045110 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation