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Structure paper

TitleStructure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
Journal, issue, pagesJ. Biol. Chem., Vol. 283, Page 18883-18891, Year 2008
Publish dateJan 9, 2008 (structure data deposition date)
AuthorsKumaran, D. / Rawat, R. / Ludivico, M.L. / Ahmed, S.A. / Swaminathan, S.
External linksJ. Biol. Chem. / PubMed:18434312
MethodsX-ray diffraction
Resolution1.47 - 1.7 Å
Structure data

PDB-3bwi:
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3c88:
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGC
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3c89:
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGM
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-3c8a:
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGL
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-3c8b:
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGI
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

Source
  • clostridium botulinum (bacteria)
  • synthetic construct (others)
KeywordsHYDROLASE / Botulinum Neurotoxin type A / catalytic domain / endopeptidase / Bio-warfare agent / Metalloprotease / Pharmaceutical / Protease / Secreted / Zinc / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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