Fluorine in PDB 6wxn: Egfr(T790M/V948R) in Complex with LN3844

All present enzymatic activity of Egfr(T790M/V948R) in Complex with LN3844:
2.7.10.1;

The structure of Egfr(T790M/V948R) in Complex with LN3844, PDB code: 6wxn was solved by D.E.Heppner, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.78 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.913, 102.742, 87.306, 90, 101.2, 90
R / Rfree (%)	20.8 / 23.6

The structure of Egfr(T790M/V948R) in Complex with LN3844 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Egfr(T790M/V948R) in Complex with LN3844 (pdb code 6wxn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Egfr(T790M/V948R) in Complex with LN3844, PDB code: 6wxn:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Egfr(T790M/V948R) in Complex with LN3844


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 LN3844 within 5.0Å range: probe atom residue distance (Å) B Occ D:F1101 b:34.3 occ:1.00 F46 D:UEJ1101 0.0 34.3 1.0 C19 D:UEJ1101 1.4 34.6 1.0 C03 D:UEJ1101 2.4 35.0 1.0 C18 D:UEJ1101 2.6 28.2 1.0 C02 D:UEJ1101 2.7 38.1 1.0 O01 D:UEJ1101 3.0 38.0 1.0 CE D:MET790 3.3 38.2 1.0 N D:LEU777 3.3 24.7 1.0 C D:ARG776 3.4 22.4 1.0 N20 D:UEJ1101 3.4 37.5 1.0 O D:CYS775 3.5 28.6 1.0 C D:CYS775 3.6 22.7 1.0 CB D:CYS775 3.6 28.0 1.0 O D:ARG776 3.6 25.9 1.0 N D:ARG776 3.8 22.8 1.0 C04 D:UEJ1101 3.8 35.0 1.0 CA D:ARG776 3.9 28.6 1.0 CA D:LEU777 3.9 27.9 1.0 C17 D:UEJ1101 3.9 34.5 1.0 OG1 D:THR854 4.0 33.0 1.0 CA D:CYS775 4.3 25.2 1.0 CB D:LEU777 4.4 22.7 1.0 C21 D:UEJ1101 4.4 31.5 1.0 C16 D:UEJ1101 4.4 32.9 1.0 SD D:MET790 4.8 35.6 1.0 C22 D:UEJ1101 5.0 28.8 1.0 O D:MET766 5.0 29.2 1.0

Fluorine binding site 2 out of 2 in the Egfr(T790M/V948R) in Complex with LN3844


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Egfr(T790M/V948R) in Complex with LN3844 within 5.0Å range: probe atom residue distance (Å) B Occ C:F1301 b:28.3 occ:1.00 F46 C:UEJ1301 0.0 28.3 1.0 C19 C:UEJ1301 1.3 23.8 1.0 C03 C:UEJ1301 2.4 27.7 1.0 C18 C:UEJ1301 2.5 27.4 1.0 C02 C:UEJ1301 2.7 32.2 1.0 O01 C:UEJ1301 3.0 30.5 1.0 N C:LEU777 3.2 22.2 1.0 C C:ARG776 3.2 21.2 1.0 N20 C:UEJ1301 3.5 26.0 1.0 C C:CYS775 3.5 23.1 1.0 O C:ARG776 3.6 21.2 1.0 O C:CYS775 3.6 21.6 1.0 N C:ARG776 3.6 23.6 1.0 CB C:CYS775 3.6 26.8 1.0 CA C:ARG776 3.7 20.7 1.0 CA C:LEU777 3.8 23.6 1.0 C04 C:UEJ1301 3.8 26.6 1.0 OG1 C:THR854 3.9 30.9 1.0 C17 C:UEJ1301 3.9 26.2 1.0 SD C:MET790 4.2 30.4 1.0 CA C:CYS775 4.2 22.9 1.0 CB C:LEU777 4.3 20.8 1.0 C16 C:UEJ1301 4.4 26.8 1.0 C21 C:UEJ1301 4.5 29.4 1.0 CB C:MET790 4.6 27.7 1.0

D.E.Heppner, M.J.Eck. Egfr(T790M/V948R) in Complex with LN3844 To Be Published.