Chlorine in PDB 6gu4: CDK1/Cyclinb/CKS2 in Complex with CGP74514A

All present enzymatic activity of CDK1/Cyclinb/CKS2 in Complex with CGP74514A:
2.7.11.22; 2.7.11.23;

The structure of CDK1/Cyclinb/CKS2 in Complex with CGP74514A, PDB code: 6gu4 was solved by D.J.Wood, S.Korolchuk, N.J.Tatum, L.Z.Wang, J.A.Endicott, M.E.M.Noble, M.P.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.18 / 2.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.513, 68.205, 166.086, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 25.3

The binding sites of Chlorine atom in the CDK1/Cyclinb/CKS2 in Complex with CGP74514A (pdb code 6gu4). 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 CDK1/Cyclinb/CKS2 in Complex with CGP74514A, PDB code: 6gu4:

Chlorine binding site 1 out of 1 in the CDK1/Cyclinb/CKS2 in Complex with CGP74514A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDK1/Cyclinb/CKS2 in Complex with CGP74514A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:71.4 occ:1.00 CL1 A:FC8301 0.0 71.4 1.0 C10 A:FC8301 1.7 58.8 1.0 C11 A:FC8301 2.7 56.7 1.0 C9 A:FC8301 2.7 59.5 1.0 O A:SER84 3.7 60.1 1.0 CG2 A:ILE10 3.9 60.1 1.0 C8 A:FC8301 4.0 58.4 1.0 C6 A:FC8301 4.0 53.0 1.0 CZ A:PHE82 4.1 44.0 1.0 C A:SER84 4.4 53.1 1.0 C7 A:FC8301 4.5 55.6 1.0 CB A:ILE10 4.7 55.7 1.0 CE1 A:PHE82 4.7 42.2 1.0 N A:MET85 4.9 55.3 1.0 CE2 A:PHE82 5.0 44.3 1.0

D.J.Wood, S.Korolchuk, N.J.Tatum, L.Z.Wang, J.A.Endicott, M.E.M.Noble, M.P.Martin. Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest A Mechanism For Achieving Selective Cdk Inhibition. Cell Chem Biol V. 26 121 2019.
ISSN: ESSN 2451-9448
PubMed: 30472117
DOI: 10.1016/J.CHEMBIOL.2018.10.015