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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 DOI10.2210/pdb3iue/pdb
Related3IMC 3IMG 3IUB 3IVC 3IVG 3IVX
DescriptorPantothenate synthetase, (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, GLYCEROL, ... (6 entities in total)
Functional Keywordsmycobacterium tuberculosis, pantothenate synthetase, fragment-based lead discovery, atp-binding, ligase, magnesium, metal-binding, nucleotide-binding, pantothenate biosynthesis
Biological sourceMycobacterium tuberculosis
Cellular locationCytoplasm (Potential): P0A5R0
Total number of polymer chains2
Total formula weight65708.13
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 citationHung, 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

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