Fluorine in PDB 8g63: Ralimetinib (LY2228820) in Complex with Wild Type Egfr

All present enzymatic activity of Ralimetinib (LY2228820) in Complex with Wild Type Egfr:
2.7.10.1;

The structure of Ralimetinib (LY2228820) in Complex with Wild Type Egfr, PDB code: 8g63 was solved by S.P.Chitnis, D.H.Heppner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.49 / 2.50
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	143.85, 143.85, 143.85, 90, 90, 90
R / Rfree (%)	20.8 / 25.7

The binding sites of Fluorine atom in the Ralimetinib (LY2228820) in Complex with Wild Type Egfr (pdb code 8g63). 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 Ralimetinib (LY2228820) in Complex with Wild Type Egfr, PDB code: 8g63:

Fluorine binding site 1 out of 1 in the Ralimetinib (LY2228820) in Complex with Wild Type Egfr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Ralimetinib (LY2228820) in Complex with Wild Type Egfr within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:78.0 occ:1.00 F28 A:YXT1101 0.0 78.0 1.0 C25 A:YXT1101 1.4 75.8 1.0 C24 A:YXT1101 2.4 74.6 1.0 C26 A:YXT1101 2.4 75.8 1.0 H241 A:YXT1101 2.6 89.7 1.0 H261 A:YXT1101 2.6 91.1 1.0 CB A:LEU788 2.9 73.1 1.0 C A:LEU788 2.9 70.3 1.0 N A:ILE789 2.9 68.7 1.0 C A:ILE789 3.0 67.3 1.0 O A:ILE789 3.2 66.8 1.0 O A:LEU788 3.2 72.7 1.0 N A:THR790 3.4 67.9 1.0 CA A:ILE789 3.4 68.4 1.0 CA A:LEU788 3.4 71.9 1.0 CB A:THR790 3.5 65.8 1.0 CD1 A:LEU777 3.6 57.1 1.0 C23 A:YXT1101 3.6 77.4 1.0 C27 A:YXT1101 3.7 76.8 1.0 CG2 A:THR790 3.7 63.4 1.0 CA A:THR790 4.0 69.0 1.0 CE A:MET766 4.1 68.5 1.0 C22 A:YXT1101 4.1 79.4 1.0 CG A:LEU788 4.2 78.8 1.0 CD1 A:LEU788 4.4 77.8 1.0 O A:ALA743 4.4 67.5 1.0 H231 A:YXT1101 4.5 93.0 1.0 H271 A:YXT1101 4.6 92.3 1.0 O A:GLY779 4.7 59.8 1.0 N A:LEU788 4.7 73.4 1.0 OG1 A:THR790 4.7 64.2 1.0 SD A:MET766 4.9 78.5 1.0 CB A:ILE789 4.9 66.9 1.0

S.P.Chitnis, D.E.Heppner. A Drug'S Target Is Not Necessarily What Causes Anti-Cancer Activity To Be Published.