Chlorine in PDB 6r3s: Crystal Structure of CDK8-Cycc in Complex with Compound 1

All present enzymatic activity of Crystal Structure of CDK8-Cycc in Complex with Compound 1:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of CDK8-Cycc in Complex with Compound 1, PDB code: 6r3s was solved by J.Boettcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.89 / 2.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.598, 71.120, 169.785, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of CDK8-Cycc in Complex with Compound 1 (pdb code 6r3s). 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 CDK8-Cycc in Complex with Compound 1, PDB code: 6r3s:

Chlorine binding site 1 out of 1 in the Crystal Structure of CDK8-Cycc in Complex with Compound 1


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 CDK8-Cycc in Complex with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:42.5 occ:1.00 CL7 A:JRE501 0.0 42.5 1.0 C6 A:JRE501 1.8 42.5 1.0 C8 A:JRE501 2.7 37.9 1.0 C5 A:JRE501 2.8 41.0 1.0 O4 A:JRE501 3.2 45.3 1.0 C2 A:JRE501 3.2 49.5 1.0 C1 A:JRE501 3.2 47.2 1.0 CG A:PHE97 3.4 28.4 1.0 CD2 A:PHE97 3.4 28.4 1.0 CB A:PHE97 3.6 29.7 1.0 O A:HOH684 3.6 43.1 1.0 CG1 A:ILE79 3.6 33.9 1.0 N9 A:JRE501 3.9 37.9 1.0 CD1 A:ILE79 3.9 35.2 1.0 CD1 A:PHE97 4.0 27.8 1.0 CE2 A:PHE97 4.0 28.0 1.0 C11 A:JRE501 4.1 37.4 1.0 CB A:ALA50 4.2 33.5 1.0 CD1 A:LEU158 4.5 31.0 1.0 C10 A:JRE501 4.5 35.6 1.0 CE1 A:PHE97 4.5 27.3 1.0 CZ A:PHE97 4.6 27.4 1.0 O A:ASP98 4.7 33.4 1.0 CB A:ILE79 4.7 32.1 1.0 CG2 A:ILE79 4.8 33.1 1.0

J.Boettcher, J.Boettcher. N/A N/A.