Atomistry » Fluorine » PDB 6v34-6viw » 6v6k
Atomistry »
  Fluorine »
    PDB 6v34-6viw »
      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: Fri Aug 2 02:54:00 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy