Fluorine in PDB 6ycu: Fragment KCL_K777 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_K777 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_K777 in Complex with Map Kinase P38-Alpha, PDB code: 6ycu 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)	72.39 / 1.35
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.187, 102.082, 102.657, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 25.3

The structure of Fragment KCL_K777 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Fluorine atom in the Fragment KCL_K777 in Complex with Map Kinase P38-Alpha (pdb code 6ycu). 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_K777 in Complex with Map Kinase P38-Alpha, PDB code: 6ycu:

Fluorine binding site 1 out of 1 in the Fragment KCL_K777 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_K777 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:15.3 occ:1.00 FB7 A:SB4401 0.0 15.3 1.0 CB3 A:SB4401 1.4 14.4 1.0 CB2 A:SB4401 2.3 13.2 1.0 CB4 A:SB4401 2.4 13.0 1.0 CB A:LEU104 3.2 11.7 1.0 C A:LEU104 3.2 12.2 1.0 N A:VAL105 3.4 10.5 1.0 O A:LEU104 3.4 12.3 1.0 C A:VAL105 3.5 12.2 1.0 CD2 A:LEU86 3.6 13.1 1.0 CB1 A:SB4401 3.6 12.1 1.0 CB5 A:SB4401 3.6 13.4 1.0 N A:THR106 3.7 11.5 1.0 CB A:THR106 3.8 10.2 1.0 CA A:VAL105 3.8 9.5 1.0 CA A:LEU104 3.8 11.0 1.0 O A:VAL105 3.9 12.6 1.0 CG2 A:THR106 4.0 12.4 1.0 CB6 A:SB4401 4.1 12.1 1.0 CA A:THR106 4.3 10.4 1.0 CG A:LEU104 4.5 13.1 1.0 O A:ALA51 4.5 12.2 1.0 CD1 A:LEU104 4.6 19.9 1.0 CB A:LYS53 4.7 11.6 1.0 O A:GLY85 4.7 14.6 1.0 CD2 A:LEU75 4.7 23.5 1.0 CG2 A:ILE84 4.9 17.2 1.0 OG1 A:THR106 4.9 13.4 1.0 N A:LEU104 5.0 11.3 1.0 N A:LYS53 5.0 11.0 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_K777 in Complex with Map Kinase P38-Alpha To Be Published.