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Structure paper

TitleCrystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Journal, issue, pagesBiochem. Pharm., Vol. 72, Page 597-607, Year 2006
Publish dateMay 10, 2006 (structure data deposition date)
AuthorsEkstrom, F. / Pang, Y.P. / Boman, M. / Artursson, E. / Akfur, C. / Borjegren, S.
External linksBiochem. Pharm. / PubMed:16876764
MethodsX-ray diffraction
Resolution2.2 - 2.5 Å
Structure data

PDB-2gyu:
Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2gyv:
Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2gyw:
Crystal Structure of Mus musculus Acetylcholinesterase in Complex with Obidoxime
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

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

ChemComp-P4G:
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-CO3:
CARBONATE ION

ChemComp-HBP:
1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME

ChemComp-P3G:
3,6,9,12,15-PENTAOXAHEPTADECANE

ChemComp-OBI:
1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / Acetylcholinesterase / AChE / oxime / reactivator / HI-6 / Ortho-7 / Obidoxime

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