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TitleA unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Journal, issue, pagesSci Rep, Vol. 12, Page 11443-11443, Year 2022
Publish dateSep 22, 2021 (structure data deposition date)
AuthorsWatanabe-Takahashi, M. / Senda, M. / Yoshino, R. / Hibino, M. / Hama, S. / Terada, T. / Shimizu, K. / Senda, T. / Nishikawa, K.
External linksSci Rep / PubMed:35794188
MethodsX-ray diffraction
Resolution1.75 - 1.9 Å
Structure data

PDB-7vhc:
Crystal structure of the STX2a complexed with AR4A peptide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7vhd:
Crystal structure of the STX2a complexed with R4A peptide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7vhe:
Crystal structure of the STX2a complexed with RRRA peptide
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7vhf:
Crystal structure of the STX2a complexed with RRA peptide
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-1PS:
3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • escherichia coli (E. coli)
  • synthetic construct (others)
KeywordsTOXIN / Shiga Toxin

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