Fluorine in PDB 8s14: C-Kit Kinase Domain in Complex with Sunitinib

All present enzymatic activity of C-Kit Kinase Domain in Complex with Sunitinib:
2.7.10.1;

The structure of C-Kit Kinase Domain in Complex with Sunitinib, PDB code: 8s14 was solved by A.Teuber, J.Niggenaber, I.Landel, M.P.Mueller, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.42 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.77, 69.82, 55.93, 90, 117, 90
R / Rfree (%)	18.8 / 21.4

The structure of C-Kit Kinase Domain in Complex with Sunitinib also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the C-Kit Kinase Domain in Complex with Sunitinib (pdb code 8s14). 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 C-Kit Kinase Domain in Complex with Sunitinib, PDB code: 8s14:

Fluorine binding site 1 out of 1 in the C-Kit Kinase Domain in Complex with Sunitinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of C-Kit Kinase Domain in Complex with Sunitinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:56.0 occ:1.00 F29 A:B491001 0.0 56.0 1.0 C15 A:B491001 1.4 52.1 1.0 C5 A:B491001 2.4 44.6 1.0 C7 A:B491001 2.4 44.9 1.0 CA A:PHE811 3.5 42.8 1.0 CE A:LYS623 3.5 49.3 1.0 NZ A:LYS623 3.6 52.1 1.0 SG A:CYS809 3.7 39.1 0.6 C17 A:B491001 3.7 39.2 1.0 C6 A:B491001 3.7 40.3 1.0 CD2 A:PHE811 3.7 59.3 1.0 O A:PHE811 3.8 49.0 1.0 CG A:PHE811 3.9 44.1 1.0 O A:ASP810 4.0 46.9 1.0 C A:PHE811 4.1 44.0 1.0 CB A:ALA814 4.1 60.9 1.0 CB A:PHE811 4.1 50.6 1.0 C16 A:B491001 4.2 37.5 1.0 CD A:LYS623 4.2 51.6 1.0 CE2 A:PHE811 4.2 50.5 1.0 N A:PHE811 4.3 44.9 1.0 CG1 A:VAL603 4.4 48.1 1.0 C A:ASP810 4.4 39.4 1.0 O A:HOH1266 4.5 56.2 1.0 CD1 A:PHE811 4.5 44.4 1.0 CB A:VAL603 4.5 45.9 1.0 CG A:LYS623 4.7 54.7 1.0 CG2 A:VAL603 4.7 43.0 1.0 CZ A:PHE811 4.8 53.0 1.0 CE1 A:PHE811 4.9 46.4 1.0

A.Teuber, J.Niggenaber, S.B.Kleinboelting, I.Landel, J.Warmuth, D.Busick, M.P.Mueller, S.Bauer, D.Rauh. C-Kit Kinase Domain in Complex with Sunitinib To Be Published.