Brand  (β version)

PDB ID: 1HBJ

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Ligands
Code Name Style Show Link
FBQ 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol PoSSuM
MES 2-(N-morpholino)-ethanesulfonic acid PoSSuM
PG4 Tetraethylene glycol PoSSuM
Non-standard Residues
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Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 1HBJ   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline
Release Data : 2001-09-25
Compound :
mol_id molecule chains
1 ACETYLCHOLINESTERASE A
ec: 3.1.1.7
fragment: GPI-ANCHOR REMOVED, RESIDUES 22-564
Source :
mol_id organism_scientific organism_common
1 TORPEDO CALIFORNICA  (taxid:7787) PACIFIC ELECTRIC RAY
variant: G2 FORM
organ: ELECTRIC ORGAN
tissue: ELECTROPLAQUE
Authors : Greenblatt, H.M., Kryger, G., Lewis, T.L., Doucet, C., Viner, R., Silman, I., Sussman, J.L.
Keywords : HYDROLASE, SERINE HYDROLASE, CHOLINESTERASE, INSECTICIDE
Exp. method : X-RAY DIFFRACTION ( 2.50 Å )
Citation :

A Structure-Based Design Approach to the Development of Novel, Reversible Ache Inhibitors

Doucet-Personeni, C.,Bentley, P.D.,Fletcher, R.J.  et al.
(2001)  J.Med.Chem.  44 : 3203

PubMed: 11563919
DOI: 10.1021/JM010826R

Reaction

Chain : A
UniProt : P04058 (ACES_TETCF)
Reaction: EC: Evidence:
Physiological Direction:
acetylcholine + H2O = acetate + choline + H(+) 3.1.1.7 -
-