Fluorine in PDB 6y85: Fragment KCL_1410 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_1410 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_1410 in Complex with Map Kinase P38-Alpha, PDB code: 6y85 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)	40.39 / 1.58
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.786, 101.952, 103.960, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.3

The structure of Fragment KCL_1410 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Fluorine atom in the Fragment KCL_1410 in Complex with Map Kinase P38-Alpha (pdb code 6y85). 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_1410 in Complex with Map Kinase P38-Alpha, PDB code: 6y85:

Fluorine binding site 1 out of 1 in the Fragment KCL_1410 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_1410 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:20.8 occ:1.00 FB7 A:SB4402 0.0 20.8 1.0 CB3 A:SB4402 1.4 19.1 1.0 CB2 A:SB4402 2.3 15.8 1.0 CB4 A:SB4402 2.4 17.4 1.0 CB A:LEU104 3.2 13.6 1.0 C A:LEU104 3.3 18.1 1.0 O A:LEU104 3.4 16.6 1.0 N A:VAL105 3.5 13.7 1.0 CB1 A:SB4402 3.6 16.5 1.0 CB5 A:SB4402 3.6 18.3 1.0 C A:VAL105 3.6 16.1 1.0 CD2 A:LEU86 3.8 20.1 1.0 N A:THR106 3.8 15.3 1.0 CB A:THR106 3.8 15.6 1.0 CA A:LEU104 3.9 14.9 1.0 CA A:VAL105 3.9 13.7 1.0 O A:VAL105 4.0 17.2 1.0 CG2 A:THR106 4.0 16.2 1.0 CB6 A:SB4402 4.1 15.3 1.0 CD1 A:LEU75 4.4 27.7 1.0 CA A:THR106 4.5 14.8 1.0 CG A:LEU104 4.5 18.4 1.0 O A:ALA51 4.6 16.3 1.0 CD1 A:LEU104 4.6 19.5 1.0 CB A:LYS53 4.8 14.8 1.0 O A:GLY85 4.9 21.6 1.0 CG2 A:ILE84 4.9 24.8 1.0 OG1 A:THR106 5.0 15.7 1.0 N A:LYS53 5.0 13.8 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_1410 in Complex with Map Kinase P38-Alpha To Be Published.