Chlorine in PDB 3rgf: Crystal Structure of Human CDK8/Cycc

All present enzymatic activity of Crystal Structure of Human CDK8/Cycc:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of Human CDK8/Cycc, PDB code: 3rgf was solved by E.V.Schneider, J.Boettcher, M.Blaesse, R.Huber, K.Maskos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.57 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.690, 70.610, 79.140, 90.00, 108.31, 90.00
R / Rfree (%)	18 / 22.1

The structure of Crystal Structure of Human CDK8/Cycc also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human CDK8/Cycc (pdb code 3rgf). 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 Human CDK8/Cycc, PDB code: 3rgf:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human CDK8/Cycc


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 Human CDK8/Cycc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl465 b:48.5 occ:1.00 CL11 A:BAX465 0.0 48.5 1.0 C5 A:BAX465 1.7 40.5 1.0 C4 A:BAX465 2.7 36.1 1.0 C6 A:BAX465 2.7 40.5 1.0 F9 A:BAX465 2.9 40.3 1.0 F10 A:BAX465 3.0 41.8 1.0 C7 A:BAX465 3.0 40.6 1.0 CG1 A:VAL147 3.6 33.0 1.0 C3 A:BAX465 4.0 36.6 1.0 C1 A:BAX465 4.0 40.5 1.0 CD1 A:LEU69 4.3 36.3 1.0 F8 A:BAX465 4.4 40.0 1.0 O A:LEU148 4.4 31.8 1.0 C2 A:BAX465 4.5 33.6 1.0 CD1 A:LEU73 4.6 41.2 1.0 CE1 A:PHE176 4.6 56.0 1.0 CD2 A:LEU142 4.7 24.6 1.0 CD1 A:LEU142 4.9 27.8 1.0

E.V.Schneider, J.Bottcher, M.Blaesse, L.Neumann, R.Huber, K.Maskos. The Structure of CDK8/Cycc Implicates Specificity in the Cdk/Cyclin Family and Reveals Interaction with A Deep Pocket Binder. J.Mol.Biol. V. 412 251 2011.
ISSN: ISSN 0022-2836
PubMed: 21806996
DOI: 10.1016/J.JMB.2011.07.020