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Structure paper

TitleReaction Products of Acetylcholinesterase and VX Reveal a Mobile Histidine in the Catalytic Triad
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 121, Page 9883-9884, Year 1999
Publish dateApr 21, 1999 (structure data deposition date)
AuthorsMillard, C.B. / Koellner, G. / Ordentlich, A. / Shafferman, A. / Silman, I. / Sussman, J.L.
External linksJ. Am. Chem. Soc. / Search PubMed
MethodsX-ray diffraction
Resolution2.2 - 2.4 Å
Structure data

PDB-1vxo:
METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-1vxr:
O-ETHYLMETHYLPHOSPHONYLATED ACETYLCHOLINESTERASE OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

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

ChemComp-VXA:
METHYLPHOSPHONIC ACID ESTER GROUP

ChemComp-HOH:
WATER

ChemComp-VX:
O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • torpedo californica (Pacific electric ray)
KeywordsHYDROLASE / CHOLINESTERASE / ORGANOPHOSPHATE / SERINE HYDROLASE / CHEMICAL-WARFARE

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