Fluorine in PDB 4g6o: Crystal Structure of the ERK2

All present enzymatic activity of Crystal Structure of the ERK2:
2.7.11.24;

The structure of Crystal Structure of the ERK2, PDB code: 4g6o was solved by Y.N.Kang, J.A.Stuckey, X.Xie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.634, 70.262, 60.244, 90.00, 109.55, 90.00
R / Rfree (%)	18 / 22.6

The binding sites of Fluorine atom in the Crystal Structure of the ERK2 (pdb code 4g6o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the ERK2, PDB code: 4g6o:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the ERK2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the ERK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:59.1 occ:1.00 F1 A:E28401 0.0 59.1 1.0 C1 A:E28401 1.3 56.8 1.0 F3 A:E28401 2.1 55.7 1.0 F2 A:E28401 2.1 57.7 1.0 C2 A:E28401 2.4 53.1 1.0 C A:GLY30 3.1 73.2 1.0 CA A:GLY30 3.2 69.5 1.0 C7 A:E28401 3.2 53.7 1.0 H10 A:E28401 3.2 54.4 0.0 C3 A:E28401 3.2 50.1 1.0 H6 A:E28401 3.3 50.2 0.0 N A:GLY30 3.4 70.1 1.0 N A:GLU31 3.5 69.3 1.0 C8 A:E28401 3.5 54.4 1.0 O A:GLY30 3.6 73.0 1.0 CB A:VAL37 3.7 65.3 1.0 N1 A:E28401 3.7 55.8 1.0 CG2 A:VAL37 3.8 64.7 1.0 CG2 A:ILE29 4.1 73.2 1.0 H2 A:E28401 4.3 55.8 0.0 CG1 A:VAL37 4.3 64.8 1.0 CA A:GLU31 4.3 87.2 1.0 C A:ILE29 4.3 74.2 1.0 H17 A:E28401 4.4 60.4 0.0 H1 A:E28401 4.4 55.8 0.0 C6 A:E28401 4.5 52.6 1.0 C4 A:E28401 4.5 48.9 1.0 C A:GLU31 4.5 97.3 1.0 H9 A:E28401 4.6 54.4 0.0 H18 A:E28401 4.7 61.5 0.0 CB A:ILE29 4.7 73.0 1.0 CA A:VAL37 4.9 62.4 1.0 O A:ILE29 5.0 74.5 1.0 N A:VAL37 5.0 64.5 1.0 C5 A:E28401 5.0 51.2 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the ERK2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the ERK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:57.7 occ:1.00 F2 A:E28401 0.0 57.7 1.0 C1 A:E28401 1.3 56.8 1.0 F3 A:E28401 2.1 55.7 1.0 F1 A:E28401 2.1 59.1 1.0 C2 A:E28401 2.4 53.1 1.0 H6 A:E28401 2.4 50.2 0.0 H17 A:E28401 2.7 60.4 0.0 C3 A:E28401 2.7 50.1 1.0 H14 A:E28401 3.1 55.5 0.0 CG2 A:VAL37 3.1 64.7 1.0 H12 A:E28401 3.5 46.5 0.0 C7 A:E28401 3.7 53.7 1.0 CB A:VAL37 3.7 65.3 1.0 C19 A:E28401 3.7 60.3 1.0 N5 A:E28401 3.8 55.6 1.0 C13 A:E28401 3.9 46.5 1.0 C4 A:E28401 4.1 48.9 1.0 CG1 A:VAL37 4.1 64.8 1.0 H18 A:E28401 4.1 61.5 0.0 H10 A:E28401 4.1 54.4 0.0 C14 A:E28401 4.2 48.3 1.0 H19 A:E28401 4.3 61.5 0.0 C16 A:E28401 4.3 51.8 1.0 C8 A:E28401 4.4 54.4 1.0 C20 A:E28401 4.5 60.9 1.0 C21 A:E28401 4.5 61.6 1.0 C17 A:E28401 4.6 57.8 1.0 C18 A:E28401 4.7 59.3 1.0 C12 A:E28401 4.7 45.6 1.0 C6 A:E28401 4.8 52.6 1.0 H16 A:E28401 4.8 57.8 0.0 C A:GLY30 4.9 73.2 1.0 C5 A:E28401 4.9 51.2 1.0 C9 A:E28401 5.0 44.0 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the ERK2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the ERK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:55.7 occ:1.00 F3 A:E28401 0.0 55.7 1.0 C1 A:E28401 1.3 56.8 1.0 F2 A:E28401 2.1 57.7 1.0 F1 A:E28401 2.1 59.1 1.0 H10 A:E28401 2.3 54.4 0.0 C2 A:E28401 2.4 53.1 1.0 C7 A:E28401 2.9 53.7 1.0 C8 A:E28401 3.0 54.4 1.0 C3 A:E28401 3.5 50.1 1.0 H17 A:E28401 3.6 60.4 0.0 H9 A:E28401 3.8 54.4 0.0 H6 A:E28401 3.9 50.2 0.0 H14 A:E28401 3.9 55.5 0.0 N1 A:E28401 3.9 55.8 1.0 C6 A:E28401 4.3 52.6 1.0 H2 A:E28401 4.4 55.8 0.0 N A:GLU31 4.4 69.3 1.0 C A:GLU31 4.5 97.3 1.0 C19 A:E28401 4.5 60.3 1.0 H12 A:E28401 4.5 46.5 0.0 H18 A:E28401 4.6 61.5 0.0 C A:GLY30 4.6 73.2 1.0 C4 A:E28401 4.7 48.9 1.0 CA A:GLY30 4.8 69.5 1.0 N5 A:E28401 4.8 55.6 1.0 H1 A:E28401 4.8 55.8 0.0 CA A:GLU31 5.0 87.2 1.0 CG2 A:VAL37 5.0 64.7 1.0 H16 A:E28401 5.0 57.8 0.0 H8 A:E28401 5.0 52.6 0.0

Y.N.Kang, J.A.Stuckey, X.Xie. Crystal Structure of the ERK2 Complexed with E28 To Be Published.