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TitleVirtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 2209-2218, Year 2015
Publish dateDec 31, 2014 (structure data deposition date)
AuthorsKincaid, V.A. / London, N. / Wangkanont, K. / Wesener, D.A. / Marcus, S.A. / Heroux, A. / Nedyalkova, L. / Talaat, A.M. / Forest, K.T. / Shoichet, B.K. / Kiessling, L.L.
External linksAcs Chem. Biol. / PubMed:26214585
MethodsX-ray diffraction
Resolution2.652 Å
Structure data

PDB-4xgk:
Crystal structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with 2-[4-(4-chlorophenyl)-7-(2-thienyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]acetic
Method: X-RAY DIFFRACTION / Resolution: 2.652 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-40K:
[(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

ChemComp-FDA:
DIHYDROFLAVINE-ADENINE DINUCLEOTIDE

ChemComp-HOH:
WATER

Source
  • corynebacterium diphtheriae (bacteria)
KeywordsISOMERASE/ISOMERASE INHIBITOR / UDP-galactopyranose mutase / Corynebacterium diphtheriae / inhibitor / galactofuranose / ISOMERASE-ISOMERASE INHIBITOR complex

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