Chlorine in PDB 7s4t: Crystal Structure of CDK2 Liganded with Compound EF2252

All present enzymatic activity of Crystal Structure of CDK2 Liganded with Compound EF2252:
2.7.11.22;

The structure of Crystal Structure of CDK2 Liganded with Compound EF2252, PDB code: 7s4t was solved by L.Sun, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.55 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.047, 71.515, 72.431, 90, 90, 90
R / Rfree (%)	17.4 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of CDK2 Liganded with Compound EF2252 (pdb code 7s4t). 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 CDK2 Liganded with Compound EF2252, PDB code: 7s4t:

Chlorine binding site 1 out of 1 in the Crystal Structure of CDK2 Liganded with Compound EF2252


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 CDK2 Liganded with Compound EF2252 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:17.2 occ:1.00 CL24 A:88O302 0.0 17.2 1.0 C23 A:88O302 1.8 16.5 1.0 C25 A:88O302 2.7 12.0 1.0 C22 A:88O302 2.7 14.2 1.0 CB A:CYS118 3.5 13.2 0.7 CA A:CYS118 3.6 12.8 0.7 CA A:CYS118 3.7 12.7 0.3 CE2 A:PHE117 3.8 16.2 1.0 CG2 A:VAL123 4.0 15.8 1.0 CB A:HIS121 4.0 16.4 1.0 C19 A:88O302 4.0 12.5 1.0 C21 A:88O302 4.0 11.7 1.0 CD2 A:PHE117 4.0 12.8 1.0 CB A:VAL123 4.1 17.8 1.0 CD1 A:LEU58 4.3 15.0 1.0 SG A:CYS118 4.3 12.9 0.3 O A:CYS118 4.3 12.9 0.3 CB A:CYS118 4.3 13.3 0.3 O A:CYS118 4.4 13.3 0.7 CB A:LEU58 4.4 14.7 1.0 N A:CYS118 4.5 11.6 0.3 CD2 A:LEU55 4.5 16.1 1.0 CG A:HIS121 4.5 16.5 1.0 N A:CYS118 4.5 11.6 0.7 C A:CYS118 4.5 13.3 0.7 C A:CYS118 4.5 13.2 0.3 C20 A:88O302 4.5 13.5 1.0 ND1 A:HIS121 4.6 22.5 1.0 CG1 A:VAL123 4.6 16.2 1.0 CD1 A:ILE63 4.6 13.3 1.0 O A:PHE117 4.7 11.3 1.0 C A:PHE117 4.9 12.3 1.0 CG A:LEU58 5.0 15.6 1.0 CZ A:PHE117 5.0 15.2 1.0

L.Sun, E.Schonbrunn. Development of Allosteric CDK2 Inhibitors To Be Published.