Fluorine in PDB 2exc: Inhibitor Complex of JNK3

All present enzymatic activity of Inhibitor Complex of JNK3:
2.7.1.37;

The structure of Inhibitor Complex of JNK3, PDB code: 2exc was solved by Y.Xue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.76 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.578, 72.231, 106.155, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 31.4

The binding sites of Fluorine atom in the Inhibitor Complex of JNK3 (pdb code 2exc). 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 Inhibitor Complex of JNK3, PDB code: 2exc:

Fluorine binding site 1 out of 1 in the Inhibitor Complex of JNK3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Inhibitor Complex of JNK3 within 5.0Å range: probe atom residue distance (Å) B Occ X:F600 b:38.8 occ:1.00 F31 X:JNK600 0.0 38.8 1.0 C25 X:JNK600 1.4 39.6 1.0 C22 X:JNK600 2.4 39.7 1.0 C21 X:JNK600 2.4 38.7 1.0 N X:VAL145 3.3 36.2 1.0 CB X:LEU144 3.3 34.8 1.0 C X:VAL145 3.4 37.8 1.0 CD1 X:LEU126 3.4 38.3 1.0 C X:LEU144 3.5 35.3 1.0 N X:MET146 3.5 38.6 1.0 O X:VAL145 3.6 38.4 1.0 C18 X:JNK600 3.7 38.4 1.0 CB X:MET146 3.7 39.1 1.0 C17 X:JNK600 3.7 37.4 1.0 CA X:VAL145 3.8 37.0 1.0 CG X:MET146 3.8 40.3 1.0 O X:LEU144 3.9 35.0 1.0 CD1 X:ILE124 3.9 40.8 1.0 CA X:LEU144 4.0 34.9 1.0 CA X:MET146 4.2 39.2 1.0 C15 X:JNK600 4.2 38.2 1.0 SD X:MET146 4.6 40.9 1.0 CG X:LEU144 4.6 35.4 1.0 CD1 X:LEU144 4.6 36.2 1.0 O X:ALA91 4.7 35.0 1.0 CG1 X:ILE124 4.8 42.7 1.0 CG X:LEU126 4.8 40.1 1.0 CA X:LEU126 4.9 40.8 1.0 SD X:MET115 5.0 45.5 1.0

B.-M.Swahn, Y.Xue, E.Arzel, E.Kallin, A.Magnus, N.Plobeck, J.Viklund. Inhibitor Complex of JNK3 To Be Published.