Fluorine in PDB 4ks8: PAK6 Kinase Domain in Complex with Sunitinib

All present enzymatic activity of PAK6 Kinase Domain in Complex with Sunitinib:
2.7.11.1;

The structure of PAK6 Kinase Domain in Complex with Sunitinib, PDB code: 4ks8 was solved by J.Gao, T.J.Boggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.46 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.616, 60.099, 99.979, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 26.1

The binding sites of Fluorine atom in the PAK6 Kinase Domain in Complex with Sunitinib (pdb code 4ks8). 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 PAK6 Kinase Domain in Complex with Sunitinib, PDB code: 4ks8:

Fluorine binding site 1 out of 1 in the PAK6 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 PAK6 Kinase Domain in Complex with Sunitinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:35.1 occ:1.00 F29 A:B49701 0.0 35.1 1.0 C15 A:B49701 1.3 33.2 1.0 C5 A:B49701 2.4 32.9 1.0 C7 A:B49701 2.4 32.9 1.0 O A:HOH897 2.8 29.7 1.0 OG A:SER543 3.0 20.3 1.0 O A:HOH945 3.1 42.3 1.0 O A:HOH858 3.3 25.7 1.0 OD1 A:ASP544 3.6 25.7 1.0 C17 A:B49701 3.6 32.7 1.0 C6 A:B49701 3.7 32.2 1.0 O A:HOH852 4.1 27.2 1.0 C16 A:B49701 4.2 32.4 1.0 CB A:SER543 4.2 19.1 1.0 CE A:MET481 4.4 26.6 1.0 CD1 A:LEU533 4.5 24.6 1.0 N A:ASP544 4.7 19.1 1.0 SD A:MET481 4.7 26.1 1.0 CD A:LYS436 4.8 26.5 1.0 CG A:ASP544 4.8 23.7 1.0 C20 A:B49701 5.0 33.5 1.0

J.Gao, B.H.Ha, H.J.Lou, E.M.Morse, R.Zhang, D.A.Calderwood, B.E.Turk, T.J.Boggon. Substrate and Inhibitor Specificity of the Type II P21-Activated Kinase, PAK6. Plos One V. 8 77818 2013.
ISSN: ESSN 1932-6203
PubMed: 24204982
DOI: 10.1371/JOURNAL.PONE.0077818