Fluorine in PDB 4fv9: Crystal Structure of the ERK2 Complexed with E71

All present enzymatic activity of Crystal Structure of the ERK2 Complexed with E71:
2.7.11.24;

The structure of Crystal Structure of the ERK2 Complexed with E71, PDB code: 4fv9 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)	37.33 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.960, 70.660, 120.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 23.8

The binding sites of Fluorine atom in the Crystal Structure of the ERK2 Complexed with E71 (pdb code 4fv9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the ERK2 Complexed with E71, PDB code: 4fv9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the ERK2 Complexed with E71


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 Complexed with E71 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:46.6 occ:1.00 F2 A:E71401 0.0 46.6 1.0 C6 A:E71401 1.4 45.2 1.0 C1 A:E71401 2.3 45.1 1.0 C5 A:E71401 2.4 43.2 1.0 H4 A:E71401 2.6 43.3 0.0 F1 A:E71401 2.7 46.7 1.0 CE A:LYS52 3.3 47.5 1.0 NE2 A:GLN103 3.3 27.6 1.0 NZ A:LYS52 3.6 56.1 1.0 C2 A:E71401 3.6 42.1 1.0 C4 A:E71401 3.6 41.3 1.0 CD A:GLN103 3.6 40.1 1.0 CG2 A:ILE101 3.6 23.0 1.0 O A:HOH524 3.6 34.1 1.0 CB A:ILE101 3.8 22.7 1.0 OE1 A:GLN103 3.9 33.0 1.0 CD A:LYS52 4.0 36.9 1.0 CB A:LYS52 4.0 21.1 1.0 C3 A:E71401 4.1 41.5 1.0 CD1 A:ILE101 4.2 37.1 1.0 CG A:GLN103 4.4 28.6 1.0 OE1 A:GLU69 4.4 46.4 1.0 OE2 A:GLU69 4.5 40.3 1.0 H3 A:E71401 4.5 41.4 0.0 CD A:GLU69 4.5 52.0 1.0 CG A:LYS52 4.6 30.0 1.0 CG1 A:ILE101 4.6 23.5 1.0 O A:ILE101 4.8 21.7 1.0 C7 A:E71401 4.8 40.2 1.0 CA A:ILE101 5.0 19.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the ERK2 Complexed with E71


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 Complexed with E71 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:46.7 occ:1.00 F1 A:E71401 0.0 46.7 1.0 C1 A:E71401 1.3 45.1 1.0 C6 A:E71401 2.3 45.2 1.0 C2 A:E71401 2.4 42.1 1.0 F2 A:E71401 2.7 46.6 1.0 H5 A:E71401 2.8 41.5 0.0 O A:HOH524 2.8 34.1 1.0 C7 A:E71401 2.9 40.2 1.0 OD1 A:ASP165 2.9 44.4 0.5 C8 A:E71401 3.0 41.4 1.0 NZ A:LYS52 3.2 56.1 1.0 CE A:LYS52 3.6 47.5 1.0 C5 A:E71401 3.6 43.2 1.0 C3 A:E71401 3.6 41.5 1.0 CD A:LYS52 3.7 36.9 1.0 OE1 A:GLN103 3.8 33.0 1.0 C9 A:E71401 4.0 37.0 1.0 C4 A:E71401 4.1 41.3 1.0 CG A:ASP165 4.1 43.1 0.5 N1 A:E71401 4.2 42.5 1.0 NE2 A:GLN103 4.3 27.6 1.0 CD A:GLN103 4.3 40.1 1.0 OE2 A:GLU69 4.4 40.3 1.0 H8 A:E71401 4.4 30.0 0.0 H4 A:E71401 4.5 43.3 0.0 H2 A:E71401 4.5 41.5 0.0 N A:ASP165 4.5 30.0 1.0 CB A:LYS52 4.7 21.1 1.0 O A:E71401 4.7 40.3 1.0 CA A:ASP165 4.7 29.7 0.5 CA A:ASP165 4.7 29.5 0.5 CG A:LYS52 4.8 30.0 1.0 OE1 A:GLU69 4.8 46.4 1.0 CD A:GLU69 4.9 52.0 1.0 OD2 A:ASP165 4.9 48.0 0.5 CB A:CYS164 4.9 29.6 1.0 C10 A:E71401 5.0 31.8 1.0

Y.N.Kang, J.A.Stuckey, X.Xie. Crystal Structure of the ERK2 Complexed with E71 To Be Published.