Chlorine in PDB 7b6f: GSK3-Beta in Complex with Compound (S)-5C

All present enzymatic activity of GSK3-Beta in Complex with Compound (S)-5C:
2.7.11.1; 2.7.11.26;

The structure of GSK3-Beta in Complex with Compound (S)-5C, PDB code: 7b6f was solved by R.Tesch, S.Andreev, P.Koch, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.41 / 2.05
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.692, 63.191, 132.180, 90.00, 97.41, 90.00
R / Rfree (%)	17.4 / 20.9

The binding sites of Chlorine atom in the GSK3-Beta in Complex with Compound (S)-5C (pdb code 7b6f). 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 GSK3-Beta in Complex with Compound (S)-5C, PDB code: 7b6f:

Chlorine binding site 1 out of 1 in the GSK3-Beta in Complex with Compound (S)-5C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of GSK3-Beta in Complex with Compound (S)-5C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:52.0 occ:1.00 CL A:SZW401 0.0 52.0 1.0 C A:SZW401 1.7 37.5 1.0 C1 A:SZW401 2.7 32.7 1.0 C3 A:SZW401 2.7 28.8 1.0 O A:HOH507 3.0 49.2 1.0 N A:ASP200 3.7 34.1 1.0 CD1 A:LEU132 3.7 37.8 1.0 CD2 A:LEU132 3.8 37.7 1.0 CG1 A:VAL110 3.9 33.2 1.0 CB A:CYS199 3.9 35.1 1.0 C2 A:SZW401 4.0 26.1 1.0 C4 A:SZW401 4.0 28.9 1.0 CG A:LEU132 4.3 35.5 1.0 CA A:ASP200 4.3 41.7 1.0 OE2 A:GLU97 4.3 59.7 1.0 CD A:LYS85 4.3 29.8 1.0 CA A:CYS199 4.5 31.4 1.0 C5 A:SZW401 4.5 27.7 1.0 C A:CYS199 4.6 35.3 1.0 SD A:MET101 4.7 41.9 0.6 SG A:CYS199 4.8 35.8 1.0 NZ A:LYS85 4.8 37.9 1.0 N2 A:SZW401 4.8 36.0 1.0 CB A:LEU132 4.8 34.6 1.0

R.Tesch, S.Andreev, P.Koch, S.Knapp, Structural Genomics Consortium (Sgc). GSK3-Beta in Complex with Compound (S)-5C To Be Published.