Fluorine in PDB 6qy7: Human CSNK2A1 Bound to Erb-041

All present enzymatic activity of Human CSNK2A1 Bound to Erb-041:
2.7.11.1;

The structure of Human CSNK2A1 Bound to Erb-041, PDB code: 6qy7 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)	89.81 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.938, 126.938, 127.089, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.5

The structure of Human CSNK2A1 Bound to Erb-041 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Human CSNK2A1 Bound to Erb-041 (pdb code 6qy7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human CSNK2A1 Bound to Erb-041, PDB code: 6qy7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human CSNK2A1 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 CSNK2A1 Bound to Erb-041 within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:49.0 occ:1.00 F22 A:041500 0.0 49.0 1.0 C16 A:041500 1.4 46.4 1.0 C17 A:041500 2.4 40.6 1.0 C15 A:041500 2.4 41.4 1.0 O23 A:041500 2.8 39.2 1.0 NZ A:LYS68 3.2 50.2 1.0 CE A:LYS68 3.3 49.2 1.0 CD A:LYS68 3.4 49.1 1.0 CB A:ASP175 3.6 41.8 1.0 C12 A:041500 3.6 42.0 1.0 C14 A:041500 3.7 47.3 1.0 CG A:ASP175 3.7 45.6 1.0 OD2 A:ASP175 3.9 58.0 1.0 CA A:ASP175 3.9 38.3 1.0 OD1 A:ASP175 4.1 45.1 1.0 C13 A:041500 4.1 42.4 1.0 N A:ASP175 4.2 38.4 1.0 CG A:LYS68 4.2 43.5 1.0 CG2 A:VAL53 4.3 47.7 1.0 CD1 A:ILE174 4.4 46.2 1.0 OG A:SER51 4.5 53.4 1.0 O A:HOH670 4.5 50.4 1.0 O A:HOH717 4.7 68.3 1.0 C10 A:041500 4.8 45.2 1.0 CB A:LYS68 5.0 40.6 1.0 O9 A:041500 5.0 43.5 1.0

Fluorine binding site 2 out of 2 in the Human CSNK2A1 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 CSNK2A1 Bound to Erb-041 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:74.9 occ:1.00 F22 B:041401 0.0 74.9 1.0 C16 B:041401 1.4 61.8 1.0 C17 B:041401 2.4 56.5 1.0 C15 B:041401 2.4 54.5 1.0 O23 B:041401 2.7 35.3 1.0 NZ B:LYS68 3.3 58.3 1.0 CE B:LYS68 3.3 58.0 1.0 CD B:LYS68 3.3 56.2 1.0 C12 B:041401 3.6 54.3 1.0 C14 B:041401 3.7 58.1 1.0 CB B:ASP175 3.7 42.9 1.0 CG B:ASP175 3.8 56.2 1.0 CA B:ASP175 3.9 37.4 1.0 OD2 B:ASP175 4.0 69.2 1.0 N B:ASP175 4.1 37.4 1.0 CD1 B:ILE174 4.1 41.5 1.0 C13 B:041401 4.1 55.6 1.0 CG B:LYS68 4.3 49.8 1.0 OD1 B:ASP175 4.4 53.3 1.0 OG B:SER51 4.6 59.3 1.0 CG2 B:VAL53 4.6 51.6 1.0 CB B:ILE174 4.8 40.6 1.0 CG1 B:ILE174 4.8 39.5 1.0 C10 B:041401 4.8 52.5 1.0 O B:HOH516 5.0 36.5 1.0 O9 B:041401 5.0 54.0 1.0

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