Chlorine in PDB 1e66: Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution

All present enzymatic activity of Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution:
3.1.1.7;

The structure of Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution, PDB code: 1e66 was solved by H.Dvir, M.Harel, I.Silman, J.L.Sussman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.42 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.335, 112.335, 138.165, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 20.5

The binding sites of Chlorine atom in the Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution (pdb code 1e66). 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 Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution, PDB code: 1e66:

Chlorine binding site 1 out of 1 in the Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Acetylcholinesterase Complexed with (-)-Huprine X at 2.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:25.9 occ:1.00 CL1 A:HUX803 0.0 25.9 1.0 C1 A:HUX803 1.7 28.5 1.0 C17 A:HUX803 2.7 27.0 1.0 C2 A:HUX803 2.8 27.7 1.0 CE2 A:TRP432 3.4 24.0 1.0 CE A:MET436 3.5 22.8 1.0 CZ2 A:TRP432 3.5 22.9 1.0 CD2 A:TRP432 3.8 24.6 1.0 NE1 A:TRP432 3.8 24.4 1.0 CD1 A:PHE330 3.8 20.7 1.0 CG2 A:ILE439 3.9 22.1 1.0 CH2 A:TRP432 3.9 25.2 1.0 C3 A:HUX803 4.0 26.4 1.0 C16 A:HUX803 4.0 26.8 1.0 CB A:PHE330 4.0 23.3 1.0 CG A:PHE330 4.1 23.3 1.0 CE3 A:TRP432 4.2 22.3 1.0 CZ3 A:TRP432 4.2 24.9 1.0 CD1 A:TRP432 4.3 25.9 1.0 CG A:TRP432 4.3 25.6 1.0 CA A:PHE330 4.3 23.7 1.0 CD1 A:ILE439 4.5 17.6 1.0 C15 A:HUX803 4.5 26.9 1.0 CE1 A:PHE330 4.6 24.0 1.0 CE1 A:TYR334 4.7 23.5 1.0 CE1 A:TYR442 4.8 22.9 1.0 SD A:MET436 4.8 27.4 1.0

H.Dvir, D.M.Wong, M.Harel, X.Barril, M.Orozco, F.J.Luque, D.Munoz-Torrero, P.Camps, T.L.Rosenberry, I.Silman, J.L.Sussman. 3D Structure of Torpedo Californica Acetylcholinesterase Complexed with Huprine X at 2. 1 A Resolution: Kinetic and Molecular Dynamic Correlates. Biochemistry V. 41 2970 2002.
ISSN: ISSN 0006-2960
PubMed: 11863435
DOI: 10.1021/BI011652I