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PDBsum entry 2xi4

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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
2xi4
Jmol
Contents
Protein chains
530 a.a.
Ligands
AFT ×2
PEG ×6
PGE ×2
NAG ×5
Metals
__K
_CL ×4
Waters ×744
PDB id:
2xi4
Name: Hydrolase
Title: Torpedo californica acetylcholinesterase in complex with afl b1 (orthorhombic space group)
Structure: Acetylcholinesterase. Chain: a, b. Fragment: residues 22-558. Synonym: ache. Ec: 3.1.1.7
Source: Torpedo californica. Pacific electric ray. Organism_taxid: 7787. Variant: g2 form. Organ: electric organ. Tissue: electroplaque
Resolution:
2.30Å     R-factor:   0.182     R-free:   0.233
Authors: B.Sanson,J.P.Colletier,Y.Xu,P.T.Lang,H.Jiang,I.Silman,J.L.Su M.Weik
Key ref: B.Sanson et al. (2011). Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations. Protein Sci, 20, 1114-1118. PubMed id: 21594947 DOI: 10.1002/pro.661
Date:
28-Jun-10     Release date:   23-Mar-11    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P04058  (ACES_TORCA) -  Acetylcholinesterase
Seq:
Struc:
 
Seq:
Struc:
586 a.a.
530 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 = NAG)
matches with 41.18% similarity
+ H(2)O
= choline
+ acetate
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  

 

 
    reference    
 
 
DOI no: 10.1002/pro.661 Protein Sci 20:1114-1118 (2011)
PubMed id: 21594947  
 
 
Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations.
B.Sanson, J.P.Colletier, Y.Xu, P.T.Lang, H.Jiang, I.Silman, J.L.Sussman, M.Weik.
 
  ABSTRACT  
 
No abstract given.