Fluorine in PDB 5owq: Human STK10 Bound to Dovitinib

All present enzymatic activity of Human STK10 Bound to Dovitinib:
2.7.11.1;

The structure of Human STK10 Bound to Dovitinib, PDB code: 5owq was solved by M.Szklarz, F.Von Delft, C.Bountra, S.Knapp, A.M.Edwards, C.Arrowsmith, J.M.Elkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.19 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.570, 50.400, 114.570, 90.00, 96.60, 90.00
R / Rfree (%)	26.3 / 30.5

The binding sites of Fluorine atom in the Human STK10 Bound to Dovitinib (pdb code 5owq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human STK10 Bound to Dovitinib, PDB code: 5owq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human STK10 Bound to Dovitinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human STK10 Bound to Dovitinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F600 b:67.2 occ:1.00 F22 A:38O600 0.0 67.2 1.0 C21 A:38O600 1.4 67.2 1.0 C23 A:38O600 2.3 66.4 1.0 C20 A:38O600 2.4 73.3 1.0 N19 A:38O600 2.6 74.5 1.0 C18 A:38O600 2.9 75.6 1.0 C24 A:38O600 3.6 68.4 1.0 C26 A:38O600 3.7 71.9 1.0 C25 A:38O600 4.1 71.4 1.0 CG2 A:VAL50 4.3 83.0 1.0 CG1 A:VAL50 4.3 79.5 1.0 C17 A:38O600 4.4 76.7 1.0 OD2 A:ASP175 4.5 44.2 1.0 CB A:VAL50 4.8 83.0 1.0 N27 A:38O600 4.8 68.8 1.0 CD1 A:LEU164 4.9 37.9 1.0

Fluorine binding site 2 out of 2 in the Human STK10 Bound to Dovitinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human STK10 Bound to Dovitinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F600 b:72.1 occ:1.00 F22 B:38O600 0.0 72.1 1.0 C21 B:38O600 1.4 74.2 1.0 C23 B:38O600 2.3 71.7 1.0 C20 B:38O600 2.4 75.3 1.0 N19 B:38O600 2.5 73.1 1.0 C18 B:38O600 2.9 75.2 1.0 OD2 B:ASP175 3.2 48.6 1.0 C24 B:38O600 3.6 72.5 1.0 C26 B:38O600 3.7 72.8 1.0 C25 B:38O600 4.1 72.0 1.0 CG B:ASP175 4.3 49.2 1.0 C17 B:38O600 4.3 78.8 1.0 CB B:ALA174 4.4 39.6 1.0 CD1 B:LEU164 4.6 37.9 1.0 CG2 B:VAL50 4.7 81.7 1.0 CG1 B:VAL50 4.7 77.8 1.0 OD1 B:ASP175 4.8 50.1 1.0 N27 B:38O600 4.8 70.7 1.0

J.M.Elkins, M.Szklarz, F.Von Delft, C.Bountra, S.Knapp, A.M.Edwards, C.Arrowsmith, J.M.Elkins. N/A N/A.