Atomistry » Fluorine » PDB 6v3h-6vix » 6v6k
Atomistry »
  Fluorine »
    PDB 6v3h-6vix »
      6v6k »

Fluorine in PDB 6v6k: Egfr(T790M/V948R) in Complex with LN2057

Enzymatic activity of Egfr(T790M/V948R) in Complex with LN2057

All present enzymatic activity of Egfr(T790M/V948R) in Complex with LN2057:
2.7.10.1;

Protein crystallography data

The structure of Egfr(T790M/V948R) in Complex with LN2057, PDB code: 6v6k 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) 85.35 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.599, 102.455, 174.043, 90.00, 101.25, 90.00
R / Rfree (%) 21.4 / 23.9

Other elements in 6v6k:

The structure of Egfr(T790M/V948R) in Complex with LN2057 also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Egfr(T790M/V948R) in Complex with LN2057 (pdb code 6v6k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Egfr(T790M/V948R) in Complex with LN2057, PDB code: 6v6k:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 1 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


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 LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1202

b:27.2
occ:1.00
 F34 D:QQJ1202 0.0 27.2 1.0
C06 D:QQJ1202 1.4 26.4 1.0
C03 D:QQJ1202 2.5 26.6 1.0
C09 D:QQJ1202 2.5 20.1 1.0
C D:LEU788 3.0 26.1 1.0
CB D:LEU788 3.1 27.6 1.0
O D:LEU788 3.1 28.1 1.0
N D:ILE789 3.2 25.1 1.0
CG D:MET790 3.3 30.0 1.0
C D:ILE789 3.4 24.9 1.0
CA D:ILE789 3.6 27.1 1.0
CA D:LEU788 3.6 25.3 1.0
O D:ILE789 3.6 23.0 1.0
N D:MET790 3.6 20.8 1.0
C01 D:QQJ1202 3.8 27.8 1.0
C11 D:QQJ1202 3.9 23.0 1.0
CD1 D:LEU777 3.9 18.7 1.0
CB D:MET790 4.0 27.1 1.0
SD D:MET790 4.1 38.0 1.0
CE D:MET790 4.2 30.7 1.0
O D:ALA743 4.3 20.3 1.0
C13 D:QQJ1202 4.4 27.1 1.0
CG D:LEU788 4.4 28.3 1.0
CA D:MET790 4.4 26.7 1.0
CB D:LYS745 4.6 27.4 1.0
N D:LYS745 4.6 20.6 1.0
CD1 D:LEU788 4.6 30.8 1.0
N D:LEU788 4.7 27.2 1.0

Fluorine binding site 2 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 2 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


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 LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1202

b:28.1
occ:1.00
 F34 A:QQJ1202 0.0 28.1 1.0
C06 A:QQJ1202 1.4 23.0 1.0
C09 A:QQJ1202 2.5 27.5 1.0
C03 A:QQJ1202 2.5 24.0 1.0
CB A:LEU788 3.0 24.2 1.0
C A:LEU788 3.0 25.2 1.0
O A:LEU788 3.1 25.8 1.0
N A:ILE789 3.2 23.1 1.0
C A:ILE789 3.5 22.5 1.0
CA A:LEU788 3.6 20.5 1.0
CD1 A:LEU777 3.7 19.8 1.0
N A:MET790 3.7 20.1 1.0
CA A:ILE789 3.7 20.7 1.0
O A:ILE789 3.7 22.9 1.0
CE A:MET790 3.8 23.6 1.0
C11 A:QQJ1202 3.8 20.8 1.0
C01 A:QQJ1202 3.9 23.6 1.0
CB A:MET790 3.9 23.1 1.0
CG A:MET790 3.9 31.6 1.0
CG A:LEU788 4.3 23.9 1.0
SD A:MET790 4.3 45.2 1.0
C13 A:QQJ1202 4.3 22.8 1.0
CD1 A:LEU788 4.3 26.1 1.0
CA A:MET790 4.4 21.9 1.0
N A:LYS745 4.5 19.8 1.0
CB A:LYS745 4.5 23.2 1.0
O A:ALA743 4.5 19.7 1.0
N A:LEU788 4.7 23.9 1.0

Fluorine binding site 3 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 3 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Egfr(T790M/V948R) in Complex with LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1202

b:31.0
occ:1.00
 F34 B:QQJ1202 0.0 31.0 1.0
C06 B:QQJ1202 1.3 27.2 1.0
C09 B:QQJ1202 2.4 22.6 1.0
C03 B:QQJ1202 2.4 21.2 1.0
CB B:LEU788 3.1 21.9 1.0
C B:LEU788 3.1 26.1 1.0
O B:LEU788 3.2 23.5 1.0
N B:ILE789 3.3 24.9 1.0
CD1 B:LEU777 3.5 21.5 1.0
C B:ILE789 3.5 21.5 1.0
N B:MET790 3.7 23.3 1.0
C01 B:QQJ1202 3.7 23.5 1.0
CA B:ILE789 3.7 21.6 1.0
C11 B:QQJ1202 3.7 29.6 1.0
CA B:LEU788 3.8 28.5 1.0
CG B:MET790 3.8 28.6 1.0
CE B:MET790 3.9 23.6 1.0
O B:ILE789 3.9 22.6 1.0
CB B:MET790 3.9 22.8 1.0
C13 B:QQJ1202 4.3 30.8 1.0
CG B:LEU788 4.4 26.1 1.0
SD B:MET790 4.4 43.1 1.0
CA B:MET790 4.4 24.6 1.0
CB B:LYS745 4.5 25.3 1.0
CD1 B:LEU788 4.5 29.3 1.0
O B:ALA743 4.6 20.4 1.0
N B:LYS745 4.7 24.1 1.0
N B:LEU788 4.8 24.1 1.0
CG B:LEU777 5.0 22.5 1.0

Fluorine binding site 4 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 4 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Egfr(T790M/V948R) in Complex with LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1202

b:28.3
occ:1.00
 F34 C:QQJ1202 0.0 28.3 1.0
C06 C:QQJ1202 1.4 25.5 1.0
C09 C:QQJ1202 2.5 24.0 1.0
C03 C:QQJ1202 2.5 27.0 1.0
CB C:LEU788 3.0 20.0 1.0
C C:LEU788 3.1 21.1 1.0
O C:LEU788 3.2 23.7 1.0
N C:ILE789 3.3 19.6 1.0
C C:ILE789 3.5 19.1 1.0
CG C:MET790 3.6 30.7 1.0
CA C:LEU788 3.6 20.7 1.0
N C:MET790 3.7 17.6 1.0
CA C:ILE789 3.7 20.6 1.0
CD1 C:LEU777 3.7 18.4 1.0
O C:ILE789 3.8 21.3 1.0
C11 C:QQJ1202 3.9 26.7 1.0
CB C:MET790 3.9 23.0 1.0
C01 C:QQJ1202 3.9 24.7 1.0
CE C:MET790 3.9 21.1 1.0
SD C:MET790 4.2 44.7 1.0
CG C:LEU788 4.3 22.7 1.0
C13 C:QQJ1202 4.4 27.3 1.0
CD1 C:LEU788 4.4 26.0 1.0
CA C:MET790 4.4 21.3 1.0
CB C:LYS745 4.6 26.9 1.0
O C:ALA743 4.6 22.1 1.0
N C:LYS745 4.6 21.8 1.0
N C:LEU788 4.8 25.8 1.0

Fluorine binding site 5 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 5 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Egfr(T790M/V948R) in Complex with LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F1202

b:34.3
occ:1.00
 F34 E:QQJ1202 0.0 34.3 1.0
C06 E:QQJ1202 1.3 29.0 1.0
C09 E:QQJ1202 2.4 27.9 1.0
C03 E:QQJ1202 2.4 24.4 1.0
C E:LEU788 3.0 26.2 1.0
O E:LEU788 3.1 24.6 1.0
CB E:LEU788 3.1 26.5 1.0
N E:ILE789 3.3 23.1 1.0
C E:ILE789 3.5 25.3 1.0
CB E:MET790 3.5 28.8 1.0
CD1 E:LEU777 3.6 12.2 1.0
CA E:ILE789 3.7 22.5 1.0
CA E:LEU788 3.7 24.9 1.0
C11 E:QQJ1202 3.7 30.4 1.0
O E:ILE789 3.7 22.5 1.0
N E:MET790 3.8 22.3 1.0
C01 E:QQJ1202 3.8 27.3 1.0
CE E:MET790 4.0 25.7 1.0
CA E:MET790 4.2 24.7 1.0
C13 E:QQJ1202 4.3 29.3 1.0
O E:ALA743 4.3 29.0 1.0
CB E:LYS745 4.4 31.8 1.0
CG E:LEU788 4.5 26.3 1.0
N E:LYS745 4.5 27.9 1.0
SD E:MET790 4.5 33.6 1.0
CG E:MET790 4.6 34.9 1.0
CD1 E:LEU788 4.6 32.6 1.0
N E:LEU788 4.8 27.5 1.0

Fluorine binding site 6 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 6 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Egfr(T790M/V948R) in Complex with LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F1202

b:39.3
occ:1.00
 F34 F:QQJ1202 0.0 39.3 1.0
C06 F:QQJ1202 1.4 26.0 1.0
C09 F:QQJ1202 2.5 23.7 1.0
C03 F:QQJ1202 2.5 21.4 1.0
C F:LEU788 2.9 28.9 1.0
O F:LEU788 3.0 32.3 1.0
CB F:LEU788 3.0 23.2 1.0
N F:ILE789 3.1 26.2 1.0
C F:ILE789 3.3 27.9 1.0
N F:MET790 3.5 18.9 1.0
CA F:ILE789 3.5 25.2 1.0
CA F:LEU788 3.6 28.4 1.0
CG F:MET790 3.6 30.1 1.0
O F:ILE789 3.7 34.8 1.0
CD1 F:LEU777 3.7 28.0 1.0
CB F:MET790 3.8 29.2 1.0
C11 F:QQJ1202 3.9 21.1 1.0
C01 F:QQJ1202 3.9 26.9 1.0
CE F:MET790 4.0 26.9 1.0
CA F:MET790 4.2 30.3 1.0
SD F:MET790 4.3 40.3 1.0
O F:ALA743 4.3 29.8 1.0
CG F:LEU788 4.4 24.1 1.0
C13 F:QQJ1202 4.4 25.3 1.0
CD1 F:LEU788 4.5 20.4 1.0
N F:LYS745 4.5 24.9 1.0
CB F:LYS745 4.6 30.2 1.0
N F:LEU788 4.7 29.3 1.0

Fluorine binding site 7 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 7 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Egfr(T790M/V948R) in Complex with LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F1202

b:43.8
occ:1.00
 F34 G:QQJ1202 0.0 43.8 1.0
C06 G:QQJ1202 1.4 30.8 1.0
C03 G:QQJ1202 2.5 31.8 1.0
C09 G:QQJ1202 2.5 29.4 1.0
CB G:LEU788 3.0 29.2 1.0
C G:LEU788 3.1 33.3 1.0
N G:ILE789 3.1 28.8 1.0
C G:ILE789 3.4 26.2 1.0
O G:LEU788 3.4 36.8 1.0
N G:MET790 3.5 28.0 1.0
CA G:ILE789 3.6 24.7 1.0
CD1 G:LEU777 3.6 26.9 1.0
CG G:MET790 3.6 32.1 1.0
CA G:LEU788 3.7 29.4 1.0
CB G:MET790 3.7 30.3 1.0
O G:ILE789 3.7 26.4 1.0
C01 G:QQJ1202 3.9 33.0 1.0
C11 G:QQJ1202 3.9 28.4 1.0
SD G:MET790 4.1 58.1 1.0
CA G:MET790 4.2 28.4 1.0
CG G:LEU788 4.3 31.6 1.0
CD1 G:LEU788 4.3 34.9 1.0
C13 G:QQJ1202 4.4 27.9 1.0
O G:ALA743 4.4 33.5 1.0
CB G:LYS745 4.6 30.1 1.0
CE G:MET790 4.7 33.4 1.0
N G:LYS745 4.8 36.8 1.0
N G:LEU788 4.8 29.7 1.0

Fluorine binding site 8 out of 8 in 6v6k

Go back to Fluorine Binding Sites List in 6v6k
Fluorine binding site 8 out of 8 in the Egfr(T790M/V948R) in Complex with LN2057


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Egfr(T790M/V948R) in Complex with LN2057 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F1202

b:39.4
occ:1.00
 F34 H:QQJ1202 0.0 39.4 1.0
C06 H:QQJ1202 1.4 34.0 1.0
C09 H:QQJ1202 2.5 34.0 1.0
C03 H:QQJ1202 2.5 29.6 1.0
CB H:LEU788 3.0 26.1 1.0
C H:LEU788 3.2 29.5 1.0
N H:ILE789 3.2 28.5 1.0
CG H:MET790 3.3 32.3 1.0
O H:LEU788 3.4 29.2 1.0
C H:ILE789 3.4 27.0 1.0
CD1 H:LEU777 3.6 21.4 1.0
N H:MET790 3.6 28.7 1.0
CA H:LEU788 3.7 27.9 1.0
O H:ILE789 3.7 24.8 1.0
CA H:ILE789 3.7 23.8 1.0
CB H:MET790 3.8 26.9 1.0
SD H:MET790 3.8 47.5 1.0
C11 H:QQJ1202 3.9 28.4 1.0
C01 H:QQJ1202 3.9 31.6 1.0
CG H:LEU788 4.2 26.9 1.0
CA H:MET790 4.3 25.7 1.0
CD1 H:LEU788 4.3 25.8 1.0
C13 H:QQJ1202 4.4 32.3 1.0
O H:ALA743 4.5 28.3 1.0
CB H:LYS745 4.7 28.9 1.0
CE H:MET790 4.8 32.0 1.0
N H:LEU788 4.8 24.0 1.0
N H:LYS745 4.9 28.5 1.0

Reference:

D.E.Heppner, M.Gunther, F.Wittlinger, S.A.Laufer, M.J.Eck. Structural Basis For Egfr Mutant Inhibition By Trisubstituted Imidazole Inhibitors. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32243152
DOI: 10.1021/ACS.JMEDCHEM.0C00200
Page generated: Tue Jul 15 16:32:49 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy