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TitleThe Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Journal, issue, pagesChemistry, Vol. 22, Page 2672-, Year 2016
Publish dateNov 25, 2015 (structure data deposition date)
AuthorsBerg, L. / Mishra, B.K. / Andersson, C.D. / Ekstrom, F. / Linusson, A.
External linksChemistry / PubMed:26751405
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-5foq:
Acetylcholinesterase in complex with C7653
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

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

ChemComp-GC8:
2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide

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

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

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / SIGNALING PROTEIN / QUANTUM CHEMISTRY / DENSITY FUNCTIONAL THEORY / DRUG DESIGN

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