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Structure paper

TitleA novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
Journal, issue, pagesTo be Published
Publish dateSep 29, 2011 (structure data deposition date)
AuthorsJorgensen, R. / Grimm, L.L. / Sindhuwinata, N. / Peters, T. / Palcic, M.M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.6 - 1.85 Å
Structure data

PDB-3u0x:
Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3u0y:
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-GTI:
1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-UDP:
URIDINE-5'-DIPHOSPHATE / UDP*YM

ChemComp-MN:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / ROSSMANN FOLD / OPEN CONFORMATION / GLYCOSYLTRANSFERASE / TRANSFERASE GTB / ABO / BLOOD GROUP ANTIGEN / GLYCOPROTEIN / METAL-BINDING / MANGANESE / UDP-GAL / H-ANTIGEN ACCEPTOR / MEMBRANE / TRANSFERASE-TRANSFERASE INHIBITOR complex / "SEMI CLOSED" CONFORMATION / transferase

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