Chlorine in PDB 8d8x: Crystal Structure of Choe in Complex with Acetate and Thiocholine (Crystal Form 2)

The structure of Crystal Structure of Choe in Complex with Acetate and Thiocholine (Crystal Form 2), PDB code: 8d8x was solved by V.D.Pham, R.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.20 / 1.36
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.339, 110.259, 84.418, 90, 90, 90
R / Rfree (%)	15.9 / 17.9

The binding sites of Chlorine atom in the Crystal Structure of Choe in Complex with Acetate and Thiocholine (Crystal Form 2) (pdb code 8d8x). 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 Crystal Structure of Choe in Complex with Acetate and Thiocholine (Crystal Form 2), PDB code: 8d8x:

Chlorine binding site 1 out of 1 in the Crystal Structure of Choe in Complex with Acetate and Thiocholine (Crystal Form 2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Choe in Complex with Acetate and Thiocholine (Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:23.2 occ:0.50 O A:HOH688 3.1 19.9 1.0 NE2 A:GLN46 3.3 19.2 1.0 O A:HOH703 4.0 19.8 1.0 CA A:GLN70 4.2 14.2 1.0 N A:GLN70 4.2 13.4 1.0 N A:GLY71 4.3 14.2 1.0 OE1 A:GLN70 4.3 22.6 1.0 CD A:GLN46 4.4 14.8 1.0 C A:GLN70 4.6 13.6 1.0 O A:HOH731 4.6 20.2 1.0 OE1 A:GLN46 4.7 19.2 1.0 O A:TYR68 4.9 17.8 1.0

V.D.Pham, M.Couture, L.-A.Lortie, M.-E.Picard, S.Charette, R.Levesque, R.Shi. Crystal Structures of Bacterial Acetylcholinesterase Choe Provide Insights Into the Plasticity of Catalytic Ser in Regulating the Active Site Geometry and the Functional State of the Sgnh Hydrolases To Be Published.