Chlorine in PDB 6guf: CDK2/Cyclina in Complex with CGP74514A

All present enzymatic activity of CDK2/Cyclina in Complex with CGP74514A:
2.7.11.22;

The structure of CDK2/Cyclina in Complex with CGP74514A, PDB code: 6guf 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)	101.17 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.318, 136.687, 150.454, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25.5

The binding sites of Chlorine atom in the CDK2/Cyclina in Complex with CGP74514A (pdb code 6guf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the CDK2/Cyclina in Complex with CGP74514A, PDB code: 6guf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the CDK2/Cyclina 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 CDK2/Cyclina in Complex with CGP74514A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:61.8 occ:1.00 CL1 A:23D301 0.0 61.8 1.0 CAQ A:23D301 1.7 41.3 1.0 CAS A:23D301 2.6 35.9 1.0 CAP A:23D301 2.7 39.7 1.0 CD A:LYS89 3.4 68.5 1.0 OD2 A:ASP86 3.5 48.1 1.0 N A:ASP86 3.6 31.1 1.0 CG A:ASP86 3.8 37.0 1.0 CAC A:23D301 3.9 39.1 1.0 CAM A:23D301 4.0 34.6 1.0 CAO A:23D301 4.0 39.1 1.0 NZ A:LYS89 4.1 79.8 1.0 CA A:GLN85 4.1 37.1 1.0 OD1 A:ASP86 4.2 35.2 1.0 C A:GLN85 4.3 31.2 1.0 CAA A:23D301 4.3 38.0 1.0 CE A:LYS89 4.4 74.8 1.0 CB A:ASP86 4.4 35.4 1.0 CAN A:23D301 4.5 39.4 1.0 CG A:GLN85 4.5 50.6 1.0 CG A:LYS89 4.6 61.0 1.0 CB A:LYS89 4.6 50.0 1.0 CA A:ASP86 4.6 33.8 1.0 CAD A:23D301 4.7 38.9 1.0 CB A:GLN85 4.9 43.3 1.0 CG2 A:ILE10 5.0 50.1 1.0 N1 A:23D301 5.0 30.5 1.0

Chlorine binding site 2 out of 2 in the CDK2/Cyclina in Complex with CGP74514A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CDK2/Cyclina in Complex with CGP74514A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:64.3 occ:1.00 CL1 C:23D301 0.0 64.3 1.0 CAQ C:23D301 1.7 51.2 1.0 CAS C:23D301 2.7 48.0 1.0 CAP C:23D301 2.7 50.0 1.0 O C:HOH401 2.9 40.6 1.0 O C:HIS84 3.7 43.6 1.0 CAM C:23D301 4.0 44.4 1.0 CAO C:23D301 4.0 48.1 1.0 CAN C:23D301 4.5 47.0 1.0 CG1 C:ILE10 4.7 39.3 1.0 C C:HIS84 4.7 52.8 1.0 CZ C:PHE82 4.7 37.3 1.0 OE1 C:GLU8 4.8 71.7 1.0 CG2 C:ILE10 4.8 41.3 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