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Structure paper

TitleCatalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Journal, issue, pagesBiochem. Pharmacol., Vol. 85, Page 1389-, Year 2013
Publish dateFeb 4, 2013 (structure data deposition date)
AuthorsArtursson, E. / Andersson, P.O. / Akfur, C. / Linusson, A. / Borjegren, S. / Ekstrom, F.
External linksBiochem. Pharmacol. / PubMed:23376121
MethodsX-ray diffraction
Resolution2.5 - 2.6 Å
Structure data

PDB-3zlt:
Crystal structure of acetylcholinesterase in complex with RVX
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3zlu:
Crystal structure of mouse acetylcholinesterase in complex with cyclosarin
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3zlv:
Crystal structure of mouse acetylcholinesterase in complex with tabun and HI-6
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-1KA:
(2-hydroxyethoxy)acetaldehyde

ChemComp-P15:
2,5,8,11,14,17-HEXAOXANONADECAN-19-OL

ChemComp-HI6:
4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM

ChemComp-CO3:
CARBONATE ION

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / RUSSIAN VX / CYCLOSARIN / GF / TABUN / GA / HI-6 / OXIME / RVX

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