Fluorine in PDB 6gjb: ERK2 Signalling Protein

All present enzymatic activity of ERK2 Signalling Protein:
2.7.11.24;

The structure of ERK2 Signalling Protein, PDB code: 6gjb was solved by M.O'reilly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.32 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.804, 70.596, 60.023, 90.00, 109.20, 90.00
R / Rfree (%)	16.4 / 20.6

The structure of ERK2 Signalling Protein also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the ERK2 Signalling Protein (pdb code 6gjb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the ERK2 Signalling Protein, PDB code: 6gjb:

Fluorine binding site 1 out of 1 in the ERK2 Signalling Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of ERK2 Signalling Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:F406 b:66.8 occ:1.00 F10 A:F0H406 0.0 66.8 1.0 C9 A:F0H406 1.4 67.9 1.0 C7 A:F0H406 2.4 73.2 1.0 C11 A:F0H406 2.4 61.2 1.0 H54 A:F0H406 2.6 60.5 1.0 CL8 A:F0H406 2.9 80.6 1.0 CG2 A:VAL39 3.2 64.8 1.0 N A:GLY34 3.5 89.6 1.0 C6 A:F0H406 3.6 68.8 1.0 C4 A:F0H406 3.6 57.7 1.0 O A:GLY37 4.0 72.7 1.0 C5 A:F0H406 4.1 63.7 1.0 CA A:GLY34 4.1 88.1 1.0 C A:GLY37 4.2 74.2 1.0 H53 A:F0H406 4.4 68.9 1.0 C A:GLU33 4.4 93.9 1.0 O A:MET38 4.4 74.7 1.0 C A:MET38 4.5 74.2 1.0 N A:MET38 4.5 69.8 1.0 CA A:GLU33 4.6 89.8 1.0 CB A:VAL39 4.7 66.0 1.0 CA A:GLY37 4.7 73.3 1.0 CA A:MET38 4.8 70.3 1.0 H50 A:F0H406 4.9 48.0 1.0 N A:VAL39 4.9 67.5 1.0 C3 A:F0H406 4.9 48.5 1.0

H.Lebraud, O.Surova, A.Courtin, M.O'reilly, C.R.Valenzano, P.Nordlund, T.D.Heightman. Quantitation of ERK1/2 Inhibitor Cellular Target Occupancies with A Reversible Slow Off-Rate Probe. Chem Sci V. 9 8608 2018.
ISSN: ISSN 2041-6520
PubMed: 30568786
DOI: 10.1039/C8SC02754D