4DDH

Pantothenate synthetase in complex with 6-methoxy-1-benzofuran-3-yl acetic acid

Summary for 4DDH

• Entry DOI: 10.2210/pdb4ddh/pdb
• Related: 4DDK 4DDM
• Descriptor: Pantothenate synthetase, ETHANOL, (6-methoxy-1-benzofuran-3-yl)acetic acid, ... (6 entities in total)
• Functional Keywords: fragment-based drug discovery, alpha beta/adenine nucleotide alpha hydrolase-like, 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: 64249.55

Authors

Silvestre, H.L. (deposition date: 2012-01-18, release date: 2013-02-13, Last modification date: 2023-09-13)

• 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; PubMed: 23872845; DOI: 10.1073/pnas.1304045110

Experimental method

X-RAY DIFFRACTION (2.07 Å)