Fluorine in PDB 8qrb: Crystal Structure of ERK2 in Complex with A Covalently Bound Macrocyclic Ligand

The structure of Crystal Structure of ERK2 in Complex with A Covalently Bound Macrocyclic Ligand, PDB code: 8qrb was solved by M.Gelin, G.Labesse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.37 / 1.51
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.81, 70.73, 60.42, 90, 109.32, 90
R / Rfree (%)	17.7 / 20.9

The binding sites of Fluorine atom in the Crystal Structure of ERK2 in Complex with A Covalently Bound Macrocyclic Ligand (pdb code 8qrb). 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 Crystal Structure of ERK2 in Complex with A Covalently Bound Macrocyclic Ligand, PDB code: 8qrb:

Fluorine binding site 1 out of 1 in the Crystal Structure of ERK2 in Complex with A Covalently Bound Macrocyclic Ligand


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 ERK2 in Complex with A Covalently Bound Macrocyclic Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:F406 b:24.3 occ:0.90 F1 A:WLZ406 0.0 24.3 0.9 C5 A:WLZ406 1.4 24.7 0.9 C6 A:WLZ406 2.4 25.9 0.9 C4 A:WLZ406 2.4 20.1 0.9 SG A:CYS164 2.6 18.2 0.1 SG A:CYS164 2.9 18.8 0.9 CB A:CYS164 3.1 14.4 0.9 C7 A:WLZ406 3.2 26.8 0.9 O1 A:WLZ406 3.2 25.1 0.9 OD1 A:ASN152 3.3 19.7 1.0 CB A:ASP165 3.3 17.6 1.0 CB A:CYS164 3.4 16.9 0.1 N A:ASP165 3.5 17.6 1.0 C A:CYS164 3.6 16.3 1.0 C3 A:WLZ406 3.7 20.1 0.9 C8 A:WLZ406 3.8 25.9 0.9 CA A:ASP165 3.9 18.2 1.0 O A:CYS164 4.0 16.7 1.0 CA A:CYS164 4.0 14.8 0.9 CG A:ASN152 4.1 17.9 1.0 CA A:CYS164 4.1 15.8 0.1 CA A:ASN152 4.3 14.8 1.0 O2 A:WLZ406 4.4 29.6 0.9 CG A:ASP165 4.4 17.5 0.8 CB A:ASN152 4.5 16.2 1.0 O A:SER151 4.6 15.1 1.0 OD2 A:ASP165 4.7 17.4 0.6 O3 A:WLZ406 4.8 28.3 0.9 C9 A:WLZ406 4.8 25.2 0.9 O A:HOH603 4.9 29.6 1.0 C2 A:WLZ406 4.9 20.4 0.9 O A:ASN152 5.0 15.7 1.0

M.Gelin, G.Labesse, J.-F.Guichou, J.-L.Pons, S.Barluenga, G.Katickeyan, N.Winssinger. Crystal Structure of ERK2 in Complex with A Covalently Bound Macrocyclic Ligand To Be Published.