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Structure paper

TitleDiscovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 295-301, Year 2021
Publish dateDec 7, 2020 (structure data deposition date)
AuthorsAmezcua, M. / Cruz, R.S. / Ku, A. / Moran, W. / Ortega, M.E. / Salzameda, N.T.
External linksAcs Med. Chem. Lett. / PubMed:33603978
MethodsX-ray diffraction
Resolution2.33 - 2.91 Å
Structure data

PDB-7ky2:
Botulism Neurooxin Light Chain A app form
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-7kyf:
Botulism Neurooxin Light Chain A app form
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

PDB-7kyh:
Botulism Neurooxin Light Chain A app form
Method: X-RAY DIFFRACTION / Resolution: 2.91 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-XC1:
N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide

ChemComp-XBM:
N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide

Source
  • clostridium botulinum (bacteria)
KeywordsTOXIN / BoNT / botulinum neurotoxin apo form / botulinum neurotoxin nva-ila dipetpide bound

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