Fluorine in PDB 8fv3: Egfr(T790M/V948R) in Complex with Compound 1 (LN4503)

All present enzymatic activity of Egfr(T790M/V948R) in Complex with Compound 1 (LN4503):
2.7.10.1;

The structure of Egfr(T790M/V948R) in Complex with Compound 1 (LN4503), PDB code: 8fv3 was solved by B.C.Ogboo, D.E.Heppner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.80 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.37, 103.224, 87.14, 90, 101.48, 90
R / Rfree (%)	19 / 22.6

The structure of Egfr(T790M/V948R) in Complex with Compound 1 (LN4503) also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Fluorine atom in the Egfr(T790M/V948R) in Complex with Compound 1 (LN4503) (pdb code 8fv3). 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 Egfr(T790M/V948R) in Complex with Compound 1 (LN4503), PDB code: 8fv3:

Fluorine binding site 1 out of 1 in the Egfr(T790M/V948R) in Complex with Compound 1 (LN4503)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Egfr(T790M/V948R) in Complex with Compound 1 (LN4503) within 5.0Å range: probe atom residue distance (Å) B Occ C:F1101 b:28.5 occ:1.00 F14 C:YA61101 0.0 28.5 1.0 C13 C:YA61101 1.4 29.4 1.0 C12 C:YA61101 2.4 28.5 1.0 C15 C:YA61101 2.4 31.0 1.0 CB C:CYS775 3.0 26.5 1.0 C C:CYS775 3.3 27.3 1.0 N C:ARG776 3.5 21.0 1.0 OG1 C:THR854 3.5 29.8 1.0 O C:CYS775 3.5 28.9 1.0 C11 C:YA61101 3.7 29.6 1.0 C C:ARG776 3.7 24.5 1.0 C16 C:YA61101 3.7 34.8 1.0 SD C:MET790 3.7 37.0 1.0 CE C:MET790 3.7 29.7 1.0 N C:LEU777 3.8 26.3 1.0 CA C:CYS775 3.8 23.3 1.0 O C:ARG776 3.9 25.8 1.0 CA C:ARG776 3.9 26.3 1.0 C17 C:YA61101 4.1 35.4 1.0 CA C:LEU777 4.5 25.2 1.0 CB C:THR854 4.5 29.6 1.0 SG C:CYS775 4.5 29.1 1.0 CA C:THR854 4.8 28.0 1.0 N10 C:YA61101 4.8 29.7 1.0 N C:CYS775 4.8 20.7 1.0 CB C:MET790 4.8 27.6 1.0 N C:ASP855 4.8 30.0 1.0 C09 C:YA61101 4.9 32.9 1.0 CE1 C:PHE856 5.0 34.2 1.0 CG C:MET790 5.0 28.4 1.0 CB C:LEU777 5.0 24.5 1.0

B.C.Ogboo, D.E.Heppner. Egfr(T790M/V948R) in Complex with Compound 1 (LN4503) To Be Published.