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Structure paper

TitleInhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Journal, issue, pagesNat Commun, Vol. 12, Page 6285-6285, Year 2021
Publish dateFeb 10, 2021 (structure data deposition date)
AuthorsPaparella, A.S. / Aboulache, B.L. / Harijan, R.K. / Potts, K.S. / Tyler, P.C. / Schramm, V.L.
External linksNat Commun / PubMed:34725358
MethodsX-ray diffraction
Resolution1.82 - 2.5 Å
Structure data

PDB-7lou:
Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7lov:
Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

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

ChemComp-IFM:
5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-NOY:
(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL

ChemComp-GOL:
GLYCEROL

Source
  • clostridioides difficile (bacteria)
KeywordsTRANSFERASE/Inhibitor / inhibitors / TcdB / toxin / Kinetic isotope effects / KIEs / drug design / TRANSFERASE / TRANSFERASE-Inhibitor complex

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