Bromine in PDB 7zy2: Crystal Structure of Compound 7 Bound to CK2ALPHA

All present enzymatic activity of Crystal Structure of Compound 7 Bound to CK2ALPHA:
2.7.11.1;

The structure of Crystal Structure of Compound 7 Bound to CK2ALPHA, PDB code: 7zy2 was solved by P.Brear, C.Fusco, E.Atkinson, M.Rossmann, N.Francis, J.Iegre, M.Hyvonen, D.Spring, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.11 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.782, 45.916, 63.286, 90, 111.88, 90
R / Rfree (%)	18.8 / 21

The binding sites of Bromine atom in the Crystal Structure of Compound 7 Bound to CK2ALPHA (pdb code 7zy2). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Compound 7 Bound to CK2ALPHA, PDB code: 7zy2:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Compound 7 Bound to CK2ALPHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Compound 7 Bound to CK2ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Br404 b:44.8 occ:1.00 BR1 A:H4N404 0.0 44.8 1.0 C1 A:H4N404 1.9 42.2 1.0 C2 A:H4N404 2.8 42.4 1.0 C8 A:H4N404 2.8 41.1 1.0 BR1 A:H4N405 3.8 54.6 1.0 CB A:TYR136 3.9 14.0 1.0 O A:ILE133 3.9 14.1 1.0 CA A:ILE133 4.0 11.8 1.0 CG A:MET137 4.1 13.6 0.5 C3 A:H4N404 4.1 42.2 1.0 C7 A:H4N404 4.2 41.5 1.0 CG2 A:ILE133 4.2 14.7 1.0 CE A:MET137 4.2 12.6 0.5 N A:MET137 4.3 9.9 0.5 N A:MET137 4.3 10.1 0.5 CD1 A:LEU128 4.5 28.6 1.0 C A:ILE133 4.5 13.7 1.0 CG A:MET137 4.5 13.4 0.5 CB A:ILE133 4.5 14.2 1.0 SD A:MET137 4.6 16.6 0.5 C A:TYR136 4.6 12.9 1.0 CG A:MET225 4.6 26.4 1.0 CE A:MET225 4.6 30.5 1.0 C4 A:H4N404 4.6 40.4 1.0 CG1 A:ILE133 4.7 15.3 1.0 CA A:TYR136 4.8 11.8 1.0 O A:ASP132 4.9 15.5 1.0 CA A:MET137 5.0 9.3 0.5 CG A:TYR136 5.0 16.2 1.0 CA A:MET137 5.0 9.1 0.5

Bromine binding site 2 out of 2 in the Crystal Structure of Compound 7 Bound to CK2ALPHA


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Compound 7 Bound to CK2ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Br405 b:54.6 occ:1.00 BR1 A:H4N405 0.0 54.6 1.0 C1 A:H4N405 1.9 46.3 1.0 C8 A:H4N405 2.8 43.3 1.0 C2 A:H4N405 2.9 42.4 1.0 C1 A:H4N404 3.4 42.2 1.0 C2 A:H4N404 3.5 42.4 1.0 O A:MET221 3.6 15.6 1.0 CE A:MET221 3.6 19.7 1.0 CE A:MET225 3.7 30.5 1.0 CB A:MET221 3.8 15.2 1.0 CB A:MET225 3.8 20.3 1.0 BR1 A:H4N404 3.8 44.8 1.0 C8 A:H4N404 3.9 41.1 1.0 C A:MET221 3.9 13.5 1.0 CE A:MET137 3.9 12.6 0.5 C3 A:H4N404 4.0 42.2 1.0 CG A:MET225 4.0 26.4 1.0 C7 A:H4N405 4.1 43.4 1.0 C3 A:H4N405 4.2 42.6 1.0 CA A:MET221 4.3 12.1 1.0 C7 A:H4N404 4.4 41.5 1.0 C4 A:H4N404 4.4 40.4 1.0 CG A:MET221 4.5 18.2 1.0 N A:LEU222 4.6 10.7 1.0 C4 A:H4N405 4.6 43.7 1.0 SD A:MET225 4.7 32.5 1.0 SD A:MET221 4.9 23.1 1.0 CA A:MET225 5.0 16.8 1.0 CA A:LEU222 5.0 12.1 1.0

P.Brear, C.Fusco, E.Atkinson, M.Rossmann, N.Francis, J.Iegre, M.Hyvonen, D.Spring. Crystal Structure of Compound 3 Bound to CK2ALPHA To Be Published.