Chlorine in PDB 7ug1: CDK2 Liganded with Para Chloro Ans

All present enzymatic activity of CDK2 Liganded with Para Chloro Ans:
2.7.11.22;

The structure of CDK2 Liganded with Para Chloro Ans, PDB code: 7ug1 was solved by E.Schonbrunn, M.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.42 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.18, 69.12, 72.2, 90, 90, 90
R / Rfree (%)	18.2 / 24.2

The binding sites of Chlorine atom in the CDK2 Liganded with Para Chloro Ans (pdb code 7ug1). 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 Liganded with Para Chloro Ans, PDB code: 7ug1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the CDK2 Liganded with Para Chloro Ans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDK2 Liganded with Para Chloro Ans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:32.6 occ:1.00 CL01 A:N5R301 0.0 32.6 1.0 C02 A:N5R301 1.7 24.0 1.0 C03 A:N5R301 2.7 22.3 1.0 C05 A:N5R301 2.7 28.1 1.0 C12 A:N5R302 3.5 28.3 1.0 CG1 A:VAL156 3.7 45.2 1.0 CG1 A:VAL154 3.7 42.4 1.0 CB A:ALA149 3.9 35.1 1.0 C11 A:N5R302 3.9 27.8 1.0 OH A:TYR15 3.9 27.2 1.0 C04 A:N5R301 4.0 23.6 1.0 C06 A:N5R301 4.0 24.9 1.0 CE1 A:TYR15 4.1 31.5 1.0 CB A:VAL154 4.3 42.3 1.0 CZ A:TYR15 4.3 26.7 1.0 C07 A:N5R301 4.5 21.5 1.0 CB A:VAL156 4.5 48.3 1.0 CG2 A:VAL154 4.5 35.0 1.0 CA A:ALA149 4.6 34.7 1.0 CD1 A:ILE52 4.6 27.0 1.0 C13 A:N5R302 4.7 27.8 1.0 CG2 A:VAL156 4.8 52.0 1.0

Chlorine binding site 2 out of 2 in the CDK2 Liganded with Para Chloro Ans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CDK2 Liganded with Para Chloro Ans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:40.9 occ:1.00 CL01 A:N5R302 0.0 40.9 1.0 C02 A:N5R302 1.7 36.2 1.0 C03 A:N5R302 2.7 32.9 1.0 C05 A:N5R302 2.7 31.2 1.0 C06 A:N5R302 4.0 29.2 1.0 C04 A:N5R302 4.0 28.6 1.0 C07 A:N5R302 4.5 26.0 1.0 ND1 A:HIS71 4.8 25.6 1.0 CE1 A:HIS71 5.0 24.6 1.0

E.Schonbrunn, G.I.Georg. Allosteric Inhibitors of CDK2 To Be Published.