Fluorine in PDB 4yju: The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249

All present enzymatic activity of The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249:
2.7.10.2;

The structure of The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249, PDB code: 4yju was solved by D.O.Somers, M.Neu, J.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 1.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.299, 87.233, 40.077, 90.00, 92.15, 90.00
R / Rfree (%)	16.7 / 20.1

The binding sites of Fluorine atom in the The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249 (pdb code 4yju). 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 The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249, PDB code: 4yju:

Fluorine binding site 1 out of 1 in the The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Kinase Domain of Human Spleen Tyrosine (Syk) in Complex with GTC000249 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:17.5 occ:1.00 F2 A:4DO701 0.0 17.5 1.0 C19 A:4DO701 1.3 16.7 1.0 C18 A:4DO701 2.4 16.1 1.0 C9 A:4DO701 2.4 16.6 1.0 H10 A:4DO701 2.6 16.1 0.0 C2 A:4DO701 2.8 18.0 1.0 N1 A:4DO701 3.0 17.4 1.0 C3 A:4DO701 3.1 16.2 1.0 CB A:MET448 3.1 18.7 1.0 CG A:MET448 3.2 23.6 1.0 H6 A:4DO701 3.3 16.2 0.0 C8 A:4DO701 3.4 17.8 1.0 CG1 A:VAL433 3.6 20.3 1.0 N4 A:4DO701 3.6 16.3 1.0 N7 A:4DO701 3.6 18.5 1.0 OG A:SER511 3.8 22.0 0.5 C4 A:4DO701 3.8 18.6 1.0 CD1 A:LEU501 3.9 20.4 1.0 O A:HOH1030 4.0 27.4 1.0 C10 A:4DO701 4.0 18.1 1.0 C6 A:4DO701 4.1 19.6 1.0 C7 A:4DO701 4.1 23.2 1.0 O A:GLU449 4.2 14.8 0.5 C5 A:4DO701 4.3 17.8 1.0 CE A:MET448 4.4 23.6 1.0 H1 A:4DO701 4.4 23.1 0.0 C1 A:4DO701 4.4 19.3 1.0 CB A:ALA400 4.4 18.6 1.0 H5 A:4DO701 4.5 18.6 0.0 O A:GLU449 4.5 17.0 0.5 CB A:VAL433 4.5 19.4 1.0 CA A:MET448 4.6 16.6 1.0 SD A:MET448 4.6 29.8 1.0 CG2 A:VAL433 4.7 19.4 1.0 H__8 A:4DO701 4.7 19.3 0.0 CB A:SER511 4.9 17.9 0.5 H__7 A:4DO701 4.9 19.3 0.0 N2 A:4DO701 4.9 22.4 1.0 O A:ALA400 4.9 17.3 1.0 CB A:SER511 4.9 16.0 0.5 C A:MET448 4.9 17.2 1.0 H__9 A:4DO701 5.0 19.3 0.0 N3 A:4DO701 5.0 22.9 1.0

J.Liddle, F.L.Atkinson, M.D.Barker, P.S.Carter, N.R.Curtis, R.P.Davis, C.Douault, M.C.Dickson, D.Elwes, N.S.Garton, M.Gray, T.G.Hayhow, C.I.Hobbs, E.Jones, S.Leach, K.Leavens, H.D.Lewis, S.Mccleary, M.Neu, V.K.Patel, A.G.Preston, C.Ramirez-Molina, T.J.Shipley, P.A.Skone, N.Smithers, D.O.Somers, A.L.Walker, R.J.Watson, G.G.Weingarten. Discovery of GSK143, A Highly Potent, Selective and Orally Efficacious Spleen Tyrosine Kinase Inhibitor. Bioorg. Med. Chem. Lett. V. 21 6188 2011.
ISSN: ESSN 1464-3405
PubMed: 21903390
DOI: 10.1016/J.BMCL.2011.07.082