Chlorine in PDB 7z1g: Crystal Structure of Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945

All present enzymatic activity of Crystal Structure of Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945:
2.7.11.1; 2.7.11.26;

The structure of Crystal Structure of Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945, PDB code: 7z1g was solved by P.Grygier, K.Pustelny, G.Dubin, A.Czarna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.42 / 2.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.812, 84.812, 195.968, 90, 90, 90
R / Rfree (%)	20.3 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945 (pdb code 7z1g). 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 Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945, PDB code: 7z1g:

Chlorine binding site 1 out of 1 in the Crystal Structure of Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945


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 Nonphosphorylated (TYR216) GSK3B in Complex with Cx-4945 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:71.8 occ:1.00 CL22 A:3NG401 0.0 71.8 1.0 C18 A:3NG401 1.7 74.5 1.0 C17 A:3NG401 2.7 70.3 1.0 C19 A:3NG401 2.7 72.1 1.0 C A:ASN64 3.5 86.0 1.0 N A:ASN64 3.6 93.7 1.0 N A:GLY65 3.7 84.6 1.0 O A:ASN64 3.7 91.0 1.0 C A:GLY63 3.9 75.6 1.0 C20 A:3NG401 4.0 67.0 1.0 C16 A:3NG401 4.0 70.5 1.0 CA A:ASN64 4.0 87.3 1.0 CA A:GLY63 4.1 73.7 1.0 CG2 A:VAL70 4.1 61.6 1.0 CA A:GLY65 4.2 97.8 1.0 O A:HOH559 4.2 67.7 1.0 O6 A:MLI403 4.4 77.3 1.0 C2 A:MLI403 4.5 78.2 1.0 C21 A:3NG401 4.5 69.2 1.0 CB A:VAL70 4.5 67.0 1.0 O A:GLY63 4.5 74.8 1.0 C1 A:MLI403 4.7 69.3 1.0 O A:GLY68 4.9 82.9 1.0 O7 A:MLI403 4.9 94.7 1.0

P.Grygier, K.Pustelny, P.Golik, G.Popowicz, G.Dubin, A.Czarna. Crystal Structure of Nonphosphorylated (TYR216) GSK3B Kinase in Complex with Cx-4945 To Be Published.