Literature summary for 3.1.1.7 extracted from

Hoernberg, A.; Tunemalm, A.K.; Ekstroem, F.
Crystal structures of acetylcholinesterase in complex with organophosphorus compounds suggest that the acyl pocket modulates the aging reaction by precluding the formation of the trigonal bipyramidal transition state (2007), Biochemistry, 46, 4815-4825.

Crystallization (Commentary)

Crystallization (Comment)	Organism
enzyme in complex with inhibitors, nerve agents and organophosphorous-based insecticides, in aged and non-aged forms, the non-aged complexes are generated by crystal soaking methods, by slow equilibration of crystals in X-buffer composed of 28% v/v PEG monomethyl ether 750, and 100 mM HEPES, pH 7.0, prior to data collection, X-buffer is supplemented with the appropriate organophosphorous compound at a concentration of 10 mM for sarin, VX, and diisopropyl fluorophosphate and 100 mM for methamidophos and fenamifos, the solution is subsequently added to the equilibrated crystals in several portions during different periods, aged forms establish during several weeks, X-ray diffraction structure determination and anaylsis at 2.5-2.9 A resolution, modelling	Mus musculus

Crystallization (Comment)

Organism

enzyme in complex with inhibitors, nerve agents and organophosphorous-based insecticides, in aged and non-aged forms, the non-aged complexes are generated by crystal soaking methods, by slow equilibration of crystals in X-buffer composed of 28% v/v PEG monomethyl ether 750, and 100 mM HEPES, pH 7.0, prior to data collection, X-buffer is supplemented with the appropriate organophosphorous compound at a concentration of 10 mM for sarin, VX, and diisopropyl fluorophosphate and 100 mM for methamidophos and fenamifos, the solution is subsequently added to the equilibrated crystals in several portions during different periods, aged forms establish during several weeks, X-ray diffraction structure determination and anaylsis at 2.5-2.9 A resolution, modelling

Mus musculus

Inhibitors

Inhibitors	Comment	Organism
diisopropyl fluorophosphate	nerve agent, binding structure, overview	Mus musculus
fenamiphos	an organophosphorous-based insecticide, binding structure, overview	Mus musculus
methamidophos	an organophosphorous-based insecticide, binding structure, overview	Mus musculus
sarin	nerve agent, binding structure, overview	Mus musculus
VX (nerve agent)	i.e. O-ethyl S-2-isopropylaminoethyl methylphosphonothiolate, nerve agent, binding structure, overview	Mus musculus

Organism

Organism	UniProt	Comment	Textmining
Mus musculus	P21836	-	-

Reaction

Reaction	Comment	Organism	Reaction ID
acetylcholine + H2O = choline + acetate	formation of the trigonal bipyramidal transition state	Mus musculus	a

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetylthiocholine + H2O	-	Mus musculus	thiocholine + acetate	-	?

Synonyms

Synonyms	Comment	Organism
AChE	-	Mus musculus