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Structure paper

TitleAtomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Journal, issue, pagesProc. Natl. Acad. Sci. Usa, Vol. 105, Page 7606-7611, Year 2008
Publish dateFeb 6, 2008 (structure data deposition date)
AuthorsTalley, T.T. / Harel, M. / Hibbs, R.E. / Radic, Z. / Tomizawa, M. / Casida, J.E. / Taylor, P.
External linksProc. Natl. Acad. Sci. Usa / PubMed:18477694
MethodsX-ray diffraction
Resolution1.94 - 2.48 Å
Structure data

PDB-3c79:
Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-3c84:
Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-IM4:
(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-HOH:
WATER

ChemComp-TH4:
{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

ChemComp-MG:
Unknown entry

Source
  • aplysia californica (California sea hare)
KeywordsCHOLINE-BINDING PROTEIN / protein-neonicotinoid complex / Receptor / acetylcholine binding protein / neonicotinoid

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