Fluorine in PDB 6y82: Fragment KCL_804 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_804 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_804 in Complex with Map Kinase P38-Alpha, PDB code: 6y82 was solved by G.F.De Nicola, C.E.Nichols, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.98 / 1.44
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.918, 102.289, 102.944, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24.3

The structure of Fragment KCL_804 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Fluorine atom in the Fragment KCL_804 in Complex with Map Kinase P38-Alpha (pdb code 6y82). 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 Fragment KCL_804 in Complex with Map Kinase P38-Alpha, PDB code: 6y82:

Fluorine binding site 1 out of 1 in the Fragment KCL_804 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fragment KCL_804 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:16.1 occ:1.00 FB7 A:SB4401 0.0 16.1 1.0 CB3 A:SB4401 1.4 14.0 1.0 CB2 A:SB4401 2.3 13.7 1.0 CB4 A:SB4401 2.4 14.3 1.0 CB A:LEU104 3.2 12.5 1.0 C A:LEU104 3.2 11.3 1.0 N A:VAL105 3.3 10.7 1.0 O A:LEU104 3.4 13.1 1.0 C A:VAL105 3.5 12.0 1.0 CB1 A:SB4401 3.6 11.9 1.0 CB5 A:SB4401 3.6 14.7 1.0 CD2 A:LEU86 3.6 15.6 1.0 N A:THR106 3.7 10.0 1.0 CB A:THR106 3.8 12.9 1.0 CA A:VAL105 3.8 11.0 1.0 O A:VAL105 3.8 12.8 1.0 CA A:LEU104 3.8 11.6 1.0 CG2 A:THR106 4.0 16.4 1.0 CB6 A:SB4401 4.1 13.2 1.0 CA A:THR106 4.3 11.9 1.0 CG A:LEU104 4.5 13.8 1.0 O A:ALA51 4.5 10.9 1.0 CD1 A:LEU75 4.6 24.3 1.0 CD1 A:LEU104 4.6 21.4 1.0 CB A:LYS53 4.7 10.7 1.0 O A:GLY85 4.8 19.4 1.0 OG1 A:THR106 4.9 12.1 1.0 N A:LEU104 5.0 10.9 1.0 CG2 A:ILE84 5.0 21.3 1.0 N A:LYS53 5.0 11.3 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_804 in Complex with Map Kinase P38-Alpha To Be Published.