Chlorine in PDB 8aec: Structure of Compound 17 Bound to CK2ALPHA

All present enzymatic activity of Structure of Compound 17 Bound to CK2ALPHA:
2.7.11.1;

The structure of Structure of Compound 17 Bound to CK2ALPHA, PDB code: 8aec was solved by P.Brear, C.De Fusco, E.Atkinson, I.Iegre, N.Francis, A.Venkitaraman, D.Spring, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.53 / 1.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.578, 45.706, 63.503, 90, 111.41, 90
R / Rfree (%)	19.5 / 20.9

The structure of Structure of Compound 17 Bound to CK2ALPHA also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Chlorine atom in the Structure of Compound 17 Bound to CK2ALPHA (pdb code 8aec). 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 Structure of Compound 17 Bound to CK2ALPHA, PDB code: 8aec:

Chlorine binding site 1 out of 1 in the Structure of Compound 17 Bound to CK2ALPHA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Compound 17 Bound to CK2ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:12.6 occ:1.00 CL A:LW3404 0.0 12.6 1.0 C A:LW3404 1.7 12.0 1.0 C1 A:LW3404 2.7 12.1 1.0 C8 A:LW3404 2.7 12.6 1.0 BR A:LW3404 3.3 17.1 1.0 O A:TYR136 3.5 8.8 1.0 C A:TYR136 3.6 8.5 1.0 CB A:TYR136 3.7 9.9 1.0 CG2 A:ILE140 3.8 10.1 1.0 N A:MET137 3.9 7.3 0.5 CD1 A:LEU171 3.9 10.0 1.0 N A:MET137 3.9 7.5 0.5 C2 A:LW3404 4.0 11.7 1.0 C7 A:LW3404 4.0 12.7 1.0 CG1 A:VAL162 4.2 12.1 1.0 CA A:MET137 4.2 6.7 0.5 CA A:MET137 4.2 6.9 0.5 CA A:TYR136 4.3 8.8 1.0 CB A:ILE140 4.4 7.9 1.0 CE A:MET137 4.4 6.7 0.5 SD A:MET137 4.5 9.0 0.5 CD1 A:ILE164 4.5 14.8 1.0 C6 A:LW3404 4.5 13.2 1.0 CE A:MET221 4.6 9.4 1.0 CG A:MET137 4.6 8.0 0.5 CG A:MET137 4.8 7.3 0.5 CG A:TYR136 5.0 10.5 1.0 SD A:MET137 5.0 7.5 0.5

P.Brear, C.De Fusco, E.Atkinson, I.Iegre, N.Francis, A.Venkitaraman, D.Spring, M.Hyvonen. Structure of Compound 17 Bound to CK2ALPHA To Be Published.