Fluorine in PDB 6y81: Fragment KCL_1088 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha, PDB code: 6y81 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)	63.87 / 1.54
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.818, 102.350, 104.261, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.6

The structure of Fragment KCL_1088 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	6 atoms

The binding sites of Fluorine atom in the Fragment KCL_1088 in Complex with Map Kinase P38-Alpha (pdb code 6y81). 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_1088 in Complex with Map Kinase P38-Alpha, PDB code: 6y81:

Fluorine binding site 1 out of 1 in the Fragment KCL_1088 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_1088 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:23.2 occ:1.00 FB7 A:SB4401 0.0 23.2 1.0 CB3 A:SB4401 1.4 20.0 1.0 CB4 A:SB4401 2.3 19.2 1.0 CB2 A:SB4401 2.4 16.9 1.0 CB A:LEU104 3.3 15.5 1.0 C A:LEU104 3.3 17.4 1.0 O A:LEU104 3.3 17.1 1.0 N A:VAL105 3.5 15.8 1.0 C A:VAL105 3.6 19.3 1.0 CB1 A:SB4401 3.6 18.6 1.0 CB5 A:SB4401 3.6 18.2 1.0 CD2 A:LEU86 3.7 21.9 1.0 N A:THR106 3.8 17.5 1.0 CB A:THR106 3.8 17.5 1.0 CA A:LEU104 3.9 16.3 1.0 CA A:VAL105 3.9 15.6 1.0 CG2 A:THR106 3.9 18.3 1.0 O A:VAL105 3.9 18.6 1.0 CB6 A:SB4401 4.1 18.9 1.0 CA A:THR106 4.4 17.0 1.0 CD1 A:LEU75 4.5 25.6 1.0 O A:ALA51 4.5 16.9 1.0 CG A:LEU104 4.6 18.8 1.0 CD1 A:LEU104 4.7 24.4 1.0 CB A:LYS53 4.7 16.5 1.0 O A:GLY85 4.8 22.2 1.0 OG1 A:THR106 5.0 19.1 1.0 CG2 A:ILE84 5.0 27.6 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_1088 in Complex with Map Kinase P38-Alpha To Be Published.