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Structure paper

TitleRoom temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Journal, issue, pagesCurr Res Struct Biol, Vol. 3, Page 206-215, Year 2021
Publish dateJul 5, 2021 (structure data deposition date)
AuthorsGerlits, O. / Blakeley, M.P. / Keen, D.A. / Radic, Z. / Kovalevsky, A.
External linksCurr Res Struct Biol / Search PubMed
MethodsX-ray diffraction
Resolution2.4 - 2.8 Å
Structure data

PDB-7rb5:
Room temperature structure of hAChE in complex with substrate analog 4K-TMA
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-7rb6:
Low temperature structure of hAChE in complex with substrate analog 4K-TMA
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7rb7:
Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-NWA:
4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-NO3:
NITRATE ION

ChemComp-3VI:
1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}

Source
  • homo sapiens (human)
KeywordsHYDROLASE / acetylcholine esterase / serine hydrolase / tetrahedral intermediate / oxime reactivator

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