Chlorine in PDB 6wa2: Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753

All present enzymatic activity of Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753:
2.7.10.1;

The structure of Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753, PDB code: 6wa2 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)	69.66 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.36, 102.47, 87.68, 90, 102.54, 90
R / Rfree (%)	22.1 / 25.8

The structure of Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753 (pdb code 6wa2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753, PDB code: 6wa2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1302 b:63.4 occ:1.00 CA A:GLY721 3.3 47.9 1.0 N A:PHE723 3.3 41.2 1.0 CE A:LYS745 3.3 36.2 1.0 CB A:PHE723 3.4 52.4 1.0 NZ A:LYS745 3.5 39.3 1.0 C A:GLY721 3.6 48.5 1.0 N A:GLY724 3.6 40.8 1.0 CA A:PHE723 3.7 47.4 1.0 N A:GLY721 3.8 56.8 1.0 N A:ALA722 3.8 41.1 1.0 CD2 A:PHE723 3.9 39.0 1.0 CG A:PHE723 4.0 36.5 1.0 OD2 A:ASP855 4.0 41.4 1.0 O A:GLY724 4.0 46.1 1.0 C A:PHE723 4.0 43.0 1.0 O A:GLY721 4.2 42.8 1.0 C A:ALA722 4.5 42.9 1.0 C A:GLY724 4.6 37.7 1.0 CA A:GLY724 4.6 41.4 1.0 CA A:ALA722 4.7 45.1 1.0 CD A:LYS745 4.8 34.5 1.0 C A:SER720 4.8 48.7 1.0 C32 A:TOV1301 4.9 26.4 1.0 S31 A:TOV1301 4.9 41.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1201 b:67.5 occ:1.00 CE B:LYS745 3.4 42.2 1.0 NZ B:LYS745 3.4 43.6 1.0 N B:PHE723 3.6 51.8 1.0 CA B:GLY721 3.7 41.5 1.0 N B:GLY724 3.8 43.5 1.0 CB B:PHE723 3.8 52.3 1.0 C B:GLY721 3.9 45.1 1.0 O B:GLY724 4.0 49.2 1.0 CA B:PHE723 4.0 44.5 1.0 N B:ALA722 4.1 50.8 1.0 C B:PHE723 4.2 47.1 1.0 N B:GLY721 4.3 50.5 1.0 O B:GLY721 4.5 52.7 1.0 OD2 B:ASP855 4.5 54.3 1.0 S31 B:TOV1202 4.6 44.0 1.0 C B:GLY724 4.6 42.5 1.0 C B:ALA722 4.7 50.0 1.0 CA B:GLY724 4.7 45.3 1.0 CG B:PHE723 4.7 60.2 1.0 CD B:LYS745 4.8 39.2 1.0 CD2 B:PHE723 4.9 64.4 1.0 CA B:ALA722 4.9 50.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Egfr(T790M/V948R) in Complex with LN3753 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1201 b:94.0 occ:1.00 NZ C:LYS745 3.2 34.8 1.0 CA C:GLY721 3.5 81.4 1.0 N C:PHE723 3.7 83.7 1.0 N C:ALA722 3.8 86.2 1.0 OD2 C:ASP855 3.8 49.2 1.0 C C:GLY721 3.9 80.5 1.0 CE C:LYS745 3.9 39.5 1.0 N C:GLY724 4.1 67.3 1.0 CB C:PHE723 4.1 95.3 1.0 CD C:LYS745 4.2 50.0 1.0 CA C:PHE723 4.3 84.8 1.0 C32 C:TOV1202 4.3 33.1 1.0 O C:GLY724 4.4 62.7 1.0 N C:GLY721 4.5 84.7 1.0 S31 C:TOV1202 4.5 47.8 1.0 C C:PHE723 4.6 79.8 1.0 CD2 C:PHE723 4.7 87.3 1.0 C C:ALA722 4.7 83.8 1.0 CG C:LYS745 4.7 42.9 1.0 CA C:ALA722 4.7 84.2 1.0 O C:GLY721 4.8 77.8 1.0 CG C:PHE723 4.9 90.6 1.0 C C:GLY724 4.9 51.5 1.0 CG C:ASP855 5.0 53.5 1.0

D.E.Heppner, M.J.Eck. Epidermal Growth Factor Receptor To Be Published.