Het-PDB Navi2 (PDB: 4ARB)

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Ligands
Code	Name	Link
C57	4-(dimethylamino)-N-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide	PoSSuM
P6G	Hexaethylene glycol	PoSSuM
PEG	Di(hydroxyethyl)ether	PoSSuM

Non-standard Residues
Code	Name	Show

Glycosylation
Code	Name	Emphasize
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose

Modification
Code	Name	Show

Download interaction data: 4ARB

Code :

4ARB PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution.

Release Data :

2012-11-28

Compound :

mol_id	molecule	chains	synonym
1	ACETYLCHOLINESTERASE	A,B	ACHE
	ec: 3.1.1.7 fragment: CATALYTIC DOMAIN, RESIDUES 32-574

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Mus musculus (taxid:10090)	House mouse	Homo sapiens (taxid:9606)
	expression_system_common: Human expression_system_cell_line: HEK293F

Authors :

Berg, L., Niemiec, M.S., Qian, W., Andersson, C.D., WittungStafshede, P., Ekstrom, F., Linusson, A.

Keywords :

HYDROLASE, ENATIOMERS, INHIBITOR, CHEMICAL LEAD

Exp. method :

X-RAY DIFFRACTION ( 2.250 Å )

Citation :

Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.

Berg, L.,Niemiec, M.S.,Qian, W. et al.
(2012) Angew.Chem.Int.Ed.Engl. 51 : 12716

Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.

Berg, L.,Andersson, C.D.,Artursson, E. et al.
(2011) Plos One 6 : 26039

Chain :

A, B

UniProt :

P21836 (ACES_MOUSE)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
acetylcholine + H2O = acetate + choline + H(+)	3.1.1.7	-
acetylcholine + H2O = acetate + choline + H(+)	-	-

PDB ID: 4ARB