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TitleProductive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
Journal, issue, pagesJ. Biol. Chem., Vol. 294, Page 10607-10618, Year 2019
Publish dateMar 4, 2019 (structure data deposition date)
AuthorsGerlits, O. / Kong, X. / Cheng, X. / Wymore, T. / Blumenthal, D.K. / Taylor, P. / Radic, Z. / Kovalevsky, A.
External linksJ. Biol. Chem. / PubMed:31138650
MethodsX-ray diffraction
Resolution2.152 - 2.801 Å
Structure data

PDB-6o5r:
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-6o5s:
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Method: X-RAY DIFFRACTION / Resolution: 2.801 Å

PDB-6o5v:
Binary complex of native hAChE with oxime reactivator RS-170B
Method: X-RAY DIFFRACTION / Resolution: 2.152 Å

PDB-6o66:
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Method: X-RAY DIFFRACTION / Resolution: 2.452 Å

Chemicals

ChemComp-LND:
4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-VX:
O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP

ChemComp-NO3:
NITRATE ION

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / oxime reactivator / imidazole-based oxime / RS-170B / VX-phosphonylated / VX-hAChE / human acetylcholinesterase

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