Fluorine in PDB 6qy8: Human CSNK2A2 Bound to Erb-041

All present enzymatic activity of Human CSNK2A2 Bound to Erb-041:
2.7.11.1;

The structure of Human CSNK2A2 Bound to Erb-041, PDB code: 6qy8 was solved by K.R.Abdul Azeez, F.J.Sorrell, T.Krojer, C.Bountra, A.M.Edwards, C.Arrowsmith, S.Knapp, J.M.Elkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.80 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.719, 114.139, 133.750, 90.00, 90.04, 90.00
R / Rfree (%)	26.3 / 29.1

The binding sites of Fluorine atom in the Human CSNK2A2 Bound to Erb-041 (pdb code 6qy8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human CSNK2A2 Bound to Erb-041, PDB code: 6qy8:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human CSNK2A2 Bound to Erb-041


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human CSNK2A2 Bound to Erb-041 within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:7.4 occ:1.00 F22 A:041500 0.0 7.4 1.0 C16 A:041500 1.4 6.9 1.0 C15 A:041500 2.4 6.5 1.0 C17 A:041500 2.4 7.4 1.0 O23 A:041500 2.7 6.7 1.0 NZ A:LYS69 3.3 13.8 1.0 CE A:LYS69 3.3 13.8 1.0 CB A:ASP176 3.4 9.1 1.0 CG A:ASP176 3.5 10.3 1.0 C14 A:041500 3.6 7.1 1.0 C12 A:041500 3.6 6.9 1.0 CD A:LYS69 3.7 13.4 1.0 CA A:ASP176 3.7 8.5 1.0 OD2 A:ASP176 3.8 12.0 1.0 OD1 A:ASP176 3.9 11.5 1.0 N A:ASP176 4.0 8.1 1.0 C13 A:041500 4.1 6.6 1.0 O A:HOH642 4.1 22.6 1.0 CG2 A:VAL54 4.2 16.8 1.0 CG A:LYS69 4.4 12.4 1.0 OG A:SER52 4.5 19.6 1.0 CD1 A:ILE175 4.6 7.6 1.0 C10 A:041500 4.8 6.8 1.0 CB A:ILE175 4.9 6.5 1.0 O9 A:041500 5.0 7.3 1.0

Fluorine binding site 2 out of 4 in the Human CSNK2A2 Bound to Erb-041


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human CSNK2A2 Bound to Erb-041 within 5.0Å range: probe atom residue distance (Å) B Occ B:F500 b:7.7 occ:1.00 F22 B:041500 0.0 7.7 1.0 C16 B:041500 1.3 9.0 1.0 C15 B:041500 2.3 9.2 1.0 C17 B:041500 2.3 9.9 1.0 O23 B:041500 2.6 10.7 1.0 NZ B:LYS69 3.3 11.2 1.0 CE B:LYS69 3.4 12.1 1.0 CB B:ASP176 3.4 8.9 1.0 CG B:ASP176 3.4 10.1 1.0 C14 B:041500 3.6 9.5 1.0 CD B:LYS69 3.6 12.7 1.0 CA B:ASP176 3.6 8.4 1.0 C12 B:041500 3.6 9.2 1.0 OD2 B:ASP176 3.7 13.4 1.0 N B:ASP176 3.8 8.0 1.0 OD1 B:ASP176 3.9 10.7 1.0 C13 B:041500 4.1 9.7 1.0 CG2 B:VAL54 4.3 16.8 1.0 O B:HOH658 4.4 17.5 1.0 CG B:LYS69 4.5 11.9 1.0 CD1 B:ILE175 4.5 7.4 1.0 OG B:SER52 4.6 16.4 1.0 CB B:ILE175 4.8 7.0 1.0 C10 B:041500 4.8 9.9 1.0 C B:ILE175 4.9 7.7 1.0 O9 B:041500 4.9 10.6 1.0

Fluorine binding site 3 out of 4 in the Human CSNK2A2 Bound to Erb-041


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human CSNK2A2 Bound to Erb-041 within 5.0Å range: probe atom residue distance (Å) B Occ C:F500 b:10.8 occ:1.00 F22 C:041500 0.0 10.8 1.0 C16 C:041500 1.4 10.1 1.0 C17 C:041500 2.3 9.6 1.0 C15 C:041500 2.4 8.6 1.0 O23 C:041500 2.6 8.9 1.0 NZ C:LYS69 3.2 11.5 1.0 CE C:LYS69 3.3 10.4 1.0 CD C:LYS69 3.5 10.5 1.0 CB C:ASP176 3.6 11.4 1.0 C12 C:041500 3.6 9.4 1.0 C14 C:041500 3.6 8.7 1.0 CG C:ASP176 3.7 12.1 1.0 CA C:ASP176 3.8 11.0 1.0 OD2 C:ASP176 3.9 15.3 1.0 N C:ASP176 4.0 10.1 1.0 OD1 C:ASP176 4.1 12.5 1.0 CG2 C:VAL54 4.1 13.8 1.0 C13 C:041500 4.1 9.3 1.0 CG C:LYS69 4.2 10.4 1.0 OG C:SER52 4.4 16.1 1.0 CD1 C:ILE175 4.6 9.4 1.0 O C:HOH707 4.8 17.8 1.0 C10 C:041500 4.8 9.3 1.0 CB C:ILE175 4.9 8.8 1.0 CB C:LYS69 4.9 10.4 1.0 O9 C:041500 5.0 9.3 1.0 O C:HOH618 5.0 15.8 1.0

Fluorine binding site 4 out of 4 in the Human CSNK2A2 Bound to Erb-041


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human CSNK2A2 Bound to Erb-041 within 5.0Å range: probe atom residue distance (Å) B Occ D:F500 b:7.8 occ:1.00 F22 D:041500 0.0 7.8 1.0 C16 D:041500 1.4 7.7 1.0 C17 D:041500 2.4 7.8 1.0 C15 D:041500 2.4 7.8 1.0 O23 D:041500 2.7 9.2 1.0 NZ D:LYS69 3.2 13.3 1.0 CE D:LYS69 3.3 13.8 1.0 O D:HOH737 3.4 29.2 1.0 CB D:ASP176 3.5 9.2 1.0 CD D:LYS69 3.6 12.9 1.0 CG D:ASP176 3.6 10.8 1.0 C14 D:041500 3.6 8.4 1.0 C12 D:041500 3.6 8.4 1.0 CA D:ASP176 3.8 8.2 1.0 OD2 D:ASP176 3.9 14.0 1.0 OD1 D:ASP176 4.0 13.3 1.0 N D:ASP176 4.0 7.5 1.0 O D:HOH624 4.1 20.5 1.0 C13 D:041500 4.1 8.4 1.0 CG2 D:VAL54 4.1 15.6 1.0 CG D:LYS69 4.3 14.1 1.0 OG D:SER52 4.4 28.8 1.0 O D:HOH699 4.5 19.3 1.0 CD1 D:ILE175 4.6 7.2 1.0 C10 D:041500 4.9 8.0 1.0 CB D:ILE175 4.9 7.2 1.0

K.R.Abdul Azeez, J.M.Elkins. CSNK2A1 Bound to Erb-041 To Be Published.