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PDBsum entry 1vxr

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protein ligands links
Hydrolase PDB id
1vxr
Jmol
Contents
Protein chain
532 a.a. *
Ligands
NDG
NAG-NAG
_VX
MES ×2
Waters ×339
* Residue conservation analysis
PDB id:
1vxr
Name: Hydrolase
Title: O-ethylmethylphosphonylated acetylcholinesterase obtained by with o-ethyl-s-[2-[bis(1-methylethyl)amino]ethyl] methylphosphonothioate (vx)
Structure: Protein (acetylcholinesterase). Chain: a. Other_details: complexed with the nerve agent vx
Source: Torpedo californica. Pacific electric ray. Organism_taxid: 7787. Organ: electric organ. Tissue: electroplaque. Cellular_location: membrane bound by gpi anchor
Resolution:
2.20Å     R-factor:   0.189     R-free:   0.230
Authors: C.B.Millard,G.Koellner,I.Silman,J.L.Sussman
Key ref: C.B.Millard et al. (1999). Reaction products of acetylcholinesterase and vx reveal a mobile histidine in the catalytic triad. J.Am.Chem.Soc., 121, 9883-9884.
Date:
21-Apr-99     Release date:   15-Nov-99    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P04058  (ACES_TORCA) -  Acetylcholinesterase
Seq:
Struc:
 
Seq:
Struc:
586 a.a.
533 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.1.1.7  - Acetylcholinesterase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Acetylcholine + H2O = choline + acetate
Acetylcholine
Bound ligand (Het Group name = NDG)
matches with 41.18% similarity
+ H(2)O
=
choline
Bound ligand (Het Group name = MES)
matches with 46.15% similarity
+
acetate
Bound ligand (Het Group name = VX)
matches with 42.86% similarity
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     synapse   5 terms 
  Biological process     neurotransmitter catabolic process   2 terms 
  Biochemical function     carboxylic ester hydrolase activity     4 terms