Fluorine in PDB 6i2y: Human STK10 Bound to Foretinib

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

The structure of Human STK10 Bound to Foretinib, PDB code: 6i2y was solved by F.J.Sorrell, B.-T.Berger, S.Oerum, F.Von Delft, C.Bountra, C.Arrowsmith, A.M.Edwards, S.Knapp, J.M.Elkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.50 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.930, 95.330, 132.860, 90.00, 90.00, 90.00
R / Rfree (%)	26.3 / 28.3

The binding sites of Fluorine atom in the Human STK10 Bound to Foretinib (pdb code 6i2y). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human STK10 Bound to Foretinib, PDB code: 6i2y:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human STK10 Bound to Foretinib


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 Foretinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F2000 b:77.9 occ:1.00 F21 A:88Z2000 0.0 77.9 1.0 C20 A:88Z2000 1.4 69.1 1.0 C15 A:88Z2000 2.3 73.0 1.0 C19 A:88Z2000 2.4 60.7 1.0 O14 A:88Z2000 2.8 72.0 1.0 CG1 A:VAL50 3.5 63.7 1.0 C10 A:88Z2000 3.6 69.1 1.0 C16 A:88Z2000 3.6 74.6 1.0 C18 A:88Z2000 3.6 67.5 1.0 CB A:LYS65 3.7 77.6 1.0 CG A:LYS65 3.9 82.5 1.0 C9 A:88Z2000 4.0 63.1 1.0 C17 A:88Z2000 4.1 68.4 1.0 CB A:ALA63 4.2 71.2 1.0 CG2 A:VAL50 4.3 73.6 1.0 N A:LYS65 4.4 72.5 1.0 CE1 A:PHE176 4.4 84.0 1.0 CA A:LYS65 4.4 74.1 1.0 CB A:VAL50 4.6 73.1 1.0 C5 A:88Z2000 4.6 65.1 1.0 CD1 A:ILE110 4.7 81.5 1.0 C A:ALA64 4.8 75.2 1.0 CD A:LYS65 4.8 83.8 1.0 O A:ALA63 4.8 74.8 1.0 C A:ALA63 4.8 72.9 1.0 N22 A:88Z2000 4.8 70.6 1.0 O36 A:88Z2000 5.0 79.8 1.0 CZ A:PHE176 5.0 82.3 1.0

Fluorine binding site 2 out of 4 in the Human STK10 Bound to Foretinib


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 Foretinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F2000 b:87.1 occ:1.00 F44 A:88Z2000 0.0 87.1 1.0 C41 A:88Z2000 1.4 75.4 1.0 C40 A:88Z2000 2.3 72.9 1.0 C42 A:88Z2000 2.3 64.4 1.0 CD2 A:HIS155 3.4 64.2 1.0 CD1 A:LEU148 3.6 66.0 1.0 C39 A:88Z2000 3.6 68.9 1.0 C43 A:88Z2000 3.6 62.8 1.0 NE2 A:HIS155 3.9 60.6 1.0 C38 A:88Z2000 4.1 64.6 1.0 CD2 A:LEU148 4.2 62.1 1.0 CD2 A:LEU173 4.2 65.5 1.0 CG A:LEU148 4.5 65.0 1.0 CG2 A:ILE93 4.5 65.1 1.0 CG A:LEU173 4.6 67.6 1.0 CG A:HIS155 4.6 61.0 1.0 CD1 A:ILE93 4.9 65.4 1.0 CB A:LEU173 5.0 58.1 1.0

Fluorine binding site 3 out of 4 in the Human STK10 Bound to Foretinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human STK10 Bound to Foretinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F2000 b:93.3 occ:1.00 F21 B:88Z2000 0.0 93.3 1.0 C20 B:88Z2000 1.4 85.8 1.0 C15 B:88Z2000 2.3 84.7 1.0 C19 B:88Z2000 2.4 79.5 1.0 O14 B:88Z2000 2.8 86.7 1.0 CG2 B:VAL50 3.3 0.3 1.0 C10 B:88Z2000 3.5 87.9 1.0 C16 B:88Z2000 3.6 80.5 1.0 C18 B:88Z2000 3.6 79.1 1.0 CB B:LYS65 3.8 0.8 1.0 C9 B:88Z2000 3.9 87.6 1.0 CB B:ALA63 3.9 97.7 1.0 C17 B:88Z2000 4.1 79.8 1.0 CB B:VAL50 4.3 0.8 1.0 N B:LYS65 4.4 97.9 1.0 CA B:LYS65 4.4 0.5 1.0 C5 B:88Z2000 4.6 88.6 1.0 CG1 B:ILE110 4.6 88.7 1.0 C B:ALA63 4.6 98.4 1.0 O B:ALA63 4.6 98.5 1.0 CB B:ILE110 4.7 88.2 1.0 C B:ALA64 4.7 99.0 1.0 CE1 B:PHE176 4.7 93.9 1.0 N22 B:88Z2000 4.8 77.7 1.0 N B:ALA64 4.9 98.4 1.0 CA B:ALA63 4.9 98.5 1.0 O B:ALA64 5.0 86.9 1.0

Fluorine binding site 4 out of 4 in the Human STK10 Bound to Foretinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human STK10 Bound to Foretinib within 5.0Å range: probe atom residue distance (Å) B Occ B:F2000 b:0.7 occ:1.00 F44 B:88Z2000 0.0 0.7 1.0 C41 B:88Z2000 1.4 97.6 1.0 C40 B:88Z2000 2.3 94.8 1.0 C42 B:88Z2000 2.3 93.2 1.0 CD1 B:LEU148 3.5 76.7 1.0 CD2 B:HIS155 3.5 93.3 1.0 C43 B:88Z2000 3.6 90.3 1.0 C39 B:88Z2000 3.6 93.8 1.0 C38 B:88Z2000 4.1 89.7 1.0 NE2 B:HIS155 4.1 92.5 1.0 CD1 B:ILE93 4.1 72.3 1.0 CD2 B:LEU173 4.2 90.3 1.0 CG2 B:ILE93 4.3 66.3 1.0 CD2 B:LEU148 4.4 70.5 1.0 CG B:LEU173 4.5 90.2 1.0 CG B:LEU148 4.5 74.7 1.0 CG B:HIS155 4.8 90.2 1.0 CB B:LEU173 4.8 85.7 1.0 O B:LEU173 4.8 84.4 1.0 C B:LEU173 5.0 87.3 1.0

F.J.Sorrell, J.M.Elkins. Human STK10 Bound to GW683134 To Be Published.