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PDBsum entry 4b0o

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protein ligands metals links
Hydrolase PDB id
4b0o
Jmol
Contents
Protein chain
527 a.a.
Ligands
GLY
NAG ×4
NAG-NAG-FUL ×2
15F
Metals
_CL ×5
_BR
_CA ×2
_NA ×2
Waters ×295
PDB id:
4b0o
Name: Hydrolase
Title: Crystal structure of soman-aged human butyrylcholinesterase complex with benzyl pyridinium-4-methyltrichloroacetimidate
Structure: Cholinesterase. Chain: a. Fragment: residues 29-557. Synonym: acylcholine acylhydrolase, butyrylcholine esterase choline esterase ii, pseudocholinesterase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: cricetulus griseus. Expression_system_taxid: 10029. Expression_system_cell_line: cho-k1. Expression_system_organ: ovary.
Resolution:
2.36Å     R-factor:   0.169     R-free:   0.204
Authors: M.Wandhammer,M.De Koning,M.Van Grol,D.Noort,M.Goeldner,F.Nac
Key ref: M.Wandhammer et al. (2013). A step toward the reactivation of aged cholinesterases--crystal structure of ligands binding to aged human butyrylcholinesterase. Chem Biol Interact, 203, 19-23. PubMed id: 22922115 DOI: 10.1016/j.cbi.2012.08.005
Date:
04-Jul-12     Release date:   29-Aug-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P06276  (CHLE_HUMAN) -  Cholinesterase
Seq:
Struc:
 
Seq:
Struc:
602 a.a.
527 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 5 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.3.1.1.8  - Cholinesterase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: An acylcholine + H2O = choline + a carboxylate
acylcholine
+ H(2)O
=
choline
Bound ligand (Het Group name = GLY)
matches with 50.00% similarity
+ carboxylate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   7 terms 
  Biological process     response to drug   13 terms 
  Biochemical function     catalytic activity     9 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.cbi.2012.08.005 Chem Biol Interact 203:19-23 (2013)
PubMed id: 22922115  
 
 
A step toward the reactivation of aged cholinesterases--crystal structure of ligands binding to aged human butyrylcholinesterase.
M.Wandhammer, M.de Koning, M.van Grol, M.Loiodice, L.Saurel, D.Noort, M.Goeldner, F.Nachon.
 
  ABSTRACT  
 
No abstract given.