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Structure paper

TitleCrystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level.
Journal, issue, pagesBiochemistry, Vol. 38, Page 7032-7039, Year 1999
Publish dateMar 19, 1999 (structure data deposition date)
AuthorsMillard, C.B. / Kryger, G. / Ordentlich, A. / Greenblatt, H.M. / Harel, M. / Raves, M.L. / Segall, Y. / Barak, D. / Shafferman, A. / Silman, I. / Sussman, J.L.
External linksBiochemistry / PubMed:10353814
MethodsX-ray diffraction
Resolution2.2 - 2.6 Å
Structure data

PDB-1cfj:
METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ISOPROPYLMETHYLPHOSPHONOFLUORIDATE (GB, SARIN)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-1som:
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT GD (SOMAN).
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2dfp:
X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

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

ChemComp-GB:
METHYLPHOSPHONIC ACID ESTER GROUP

ChemComp-HOH:
WATER

ChemComp-UNX:
Unknown entry

ChemComp-VXA:
METHYLPHOSPHONIC 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 / NERVE AGENT / ORGANOPHOSPHOROUS ACID ANHYDRIDE / AGED ORGANOPHOSPHATE / DFP / NEUROTRANSMITTER CLEAVAGE / CATALYTIC TRIAD / ALPHA/BETA HYDROLASE

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