Chlorine in PDB 4ara: Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution.

All present enzymatic activity of Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution.:
3.1.1.7;

The structure of Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution., PDB code: 4ara was solved by L.Berg, M.S.Niemiec, W.Qian, C.D.Andersson, P.Wittungstafshede, F.Ekstrom, A.Linusson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.86 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.764, 112.012, 227.340, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.2

The binding sites of Chlorine atom in the Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution. (pdb code 4ara). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution., PDB code: 4ara:

Chlorine binding site 1 out of 1 in the Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mus Musculus Acetylcholinesterase in Complex with (R)-C5685 at 2.5 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1555 b:80.0 occ:1.00 O B:HOH2156 3.5 47.4 1.0 O B:HOH2157 3.6 75.9 1.0 OG B:SER240 3.6 52.9 1.0 CB B:GLU243 4.3 47.9 1.0 O B:HOH2161 4.5 74.5 1.0 O B:HOH2162 4.6 64.1 1.0 CB B:SER240 4.6 46.8 1.0 OE1 B:GLU243 4.9 50.6 1.0 CG B:GLU243 5.0 46.9 1.0

L.Berg, M.S.Niemiec, W.Qian, C.D.Andersson, P.Wittung-Stafshede, F.Ekstrom, A.Linusson. Similar But Different: Thermodynamic and Structural Characterization of A Pair of Enantiomers Binding to Acetylcholinesterase. Angew.Chem.Int.Ed.Engl. V. 51 12716 2012.
ISSN: ISSN 1433-7851
PubMed: 23161758
DOI: 10.1002/ANIE.201205113