Atomistry » Fluorine » PDB 8q0w-8qqg » 8qqg
Atomistry »
  Fluorine »
    PDB 8q0w-8qqg »
      8qqg »

Fluorine in PDB 8qqg: Structure of Braf in Complex with Exarafenib (Kin-2787).

Enzymatic activity of Structure of Braf in Complex with Exarafenib (Kin-2787).

All present enzymatic activity of Structure of Braf in Complex with Exarafenib (Kin-2787).:
2.7.11.1;

Protein crystallography data

The structure of Structure of Braf in Complex with Exarafenib (Kin-2787)., PDB code: 8qqg was solved by A.Schmitt, E.Costanzi, R.Kania, Y.K.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 146.21 / 2.98
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 206.778, 206.778, 149.382, 90, 90, 90
R / Rfree (%) 22.4 / 26.1

Other elements in 8qqg:

The structure of Structure of Braf in Complex with Exarafenib (Kin-2787). also contains other interesting chemical elements:

Chlorine (Cl) 7 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Braf in Complex with Exarafenib (Kin-2787). (pdb code 8qqg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Structure of Braf in Complex with Exarafenib (Kin-2787)., PDB code: 8qqg:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 1 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:45.3
occ:1.00
F37 A:WJ9801 0.0 45.3 1.0
C36 A:WJ9801 1.4 44.4 1.0
F38 A:WJ9801 2.3 45.6 1.0
F39 A:WJ9801 2.3 45.0 1.0
C35 A:WJ9801 2.4 42.9 1.0
CD2 A:HIS573 3.2 48.0 1.0
CD1 A:LEU566 3.5 58.3 1.0
CG A:HIS573 3.7 48.1 1.0
C32 A:WJ9801 3.7 41.6 1.0
CD2 A:LEU566 3.8 57.6 1.0
NE2 A:HIS573 3.8 47.7 1.0
CB A:HIS573 4.1 49.1 1.0
CA A:HIS573 4.2 50.6 1.0
CG A:LEU566 4.3 57.3 1.0
CG2 A:ILE571 4.3 58.8 1.0
C34 A:WJ9801 4.4 41.0 1.0
ND1 A:HIS573 4.5 47.8 1.0
CE1 A:HIS573 4.6 47.1 1.0
CG2 A:ILE591 4.8 50.0 1.0
C31 A:WJ9801 4.8 41.2 1.0
N A:HIS573 4.9 50.9 1.0

Fluorine binding site 2 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 2 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:45.6
occ:1.00
F38 A:WJ9801 0.0 45.6 1.0
C36 A:WJ9801 1.4 44.4 1.0
F39 A:WJ9801 2.3 45.0 1.0
F37 A:WJ9801 2.3 45.3 1.0
C35 A:WJ9801 2.4 42.9 1.0
C32 A:WJ9801 3.1 41.6 1.0
CD2 A:LEU566 3.3 57.6 1.0
CG1 A:VAL503 3.6 57.3 1.0
C34 A:WJ9801 4.0 41.0 1.0
CG2 A:ILE571 4.1 58.8 1.0
CG2 A:THR507 4.2 53.1 1.0
C31 A:WJ9801 4.3 41.2 1.0
CD1 A:LEU566 4.4 58.3 1.0
CG A:LEU566 4.5 57.3 1.0
CD1 A:ILE571 5.0 61.3 1.0

Fluorine binding site 3 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 3 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:45.0
occ:1.00
F39 A:WJ9801 0.0 45.0 1.0
C36 A:WJ9801 1.4 44.4 1.0
F38 A:WJ9801 2.3 45.6 1.0
F37 A:WJ9801 2.3 45.3 1.0
C35 A:WJ9801 2.4 42.9 1.0
C34 A:WJ9801 2.8 41.0 1.0
C32 A:WJ9801 2.8 41.6 1.0
O A:ILE591 4.0 51.7 1.0
CA A:GLY592 4.0 56.6 1.0
CD2 A:HIS573 4.3 48.0 1.0
N29 A:WJ9801 4.3 41.4 1.0
NE2 A:HIS573 4.3 47.7 1.0
C31 A:WJ9801 4.3 41.2 1.0
C A:ILE591 4.4 51.4 1.0
C A:GLY592 4.4 58.2 1.0
N A:GLY592 4.4 54.2 1.0
CG2 A:ILE591 4.5 50.0 1.0
CD1 A:LEU566 4.6 58.3 1.0
CD2 A:LEU566 4.6 57.6 1.0
O A:GLY592 4.6 56.7 1.0
CG2 A:ILE512 4.8 49.1 1.0
O28 A:WJ9801 4.9 43.8 1.0
N A:ASP593 4.9 62.1 1.0
C30 A:WJ9801 5.0 41.2 1.0

Fluorine binding site 4 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 4 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:26.6
occ:1.00
F37 B:WJ9801 0.0 26.6 1.0
C36 B:WJ9801 1.4 26.6 1.0
F39 B:WJ9801 2.3 26.5 1.0
F38 B:WJ9801 2.3 26.5 1.0
C35 B:WJ9801 2.4 26.6 1.0
C34 B:WJ9801 3.1 26.3 1.0
C32 B:WJ9801 3.1 26.3 1.0
CD2 B:HIS573 3.5 43.4 1.0
NE2 B:HIS573 3.7 43.2 1.0
CA B:GLY592 3.9 38.5 1.0
C B:GLY592 4.2 40.2 1.0
O B:ILE591 4.2 33.4 1.0
O B:GLY592 4.4 39.0 1.0
N B:GLY592 4.4 37.4 1.0
CG2 B:ILE591 4.4 36.4 1.0
CD1 B:LEU566 4.4 37.6 1.0
C B:ILE591 4.4 35.5 1.0
C31 B:WJ9801 4.5 26.1 1.0
N29 B:WJ9801 4.5 26.4 1.0
CG B:HIS573 4.5 42.8 1.0
CE1 B:HIS573 4.7 42.5 1.0
N B:ASP593 4.7 44.5 1.0
CD2 B:LEU566 4.7 36.6 1.0

Fluorine binding site 5 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 5 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:26.5
occ:1.00
F38 B:WJ9801 0.0 26.5 1.0
C36 B:WJ9801 1.4 26.6 1.0
F37 B:WJ9801 2.3 26.6 1.0
F39 B:WJ9801 2.3 26.5 1.0
C35 B:WJ9801 2.4 26.6 1.0
C32 B:WJ9801 2.8 26.3 1.0
C34 B:WJ9801 3.7 26.3 1.0
CG1 B:VAL503 3.8 35.9 1.0
CD2 B:LEU566 3.8 36.6 1.0
CG2 B:THR507 3.9 35.6 1.0
C31 B:WJ9801 4.2 26.1 1.0
CD2 B:LEU504 4.4 35.2 1.0
CG2 B:ILE571 4.6 46.5 1.0
CG2 B:ILE512 4.7 32.9 1.0
CD1 B:LEU566 4.7 37.6 1.0
N29 B:WJ9801 4.9 26.4 1.0
CG B:LEU566 4.9 36.9 1.0

Fluorine binding site 6 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 6 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:26.5
occ:1.00
F39 B:WJ9801 0.0 26.5 1.0
C36 B:WJ9801 1.4 26.6 1.0
F37 B:WJ9801 2.3 26.6 1.0
F38 B:WJ9801 2.3 26.5 1.0
C35 B:WJ9801 2.4 26.6 1.0
CD2 B:HIS573 3.6 43.4 1.0
CD2 B:LEU566 3.6 36.6 1.0
CD1 B:LEU566 3.6 37.6 1.0
C32 B:WJ9801 3.7 26.3 1.0
CG2 B:ILE571 3.8 46.5 1.0
CG B:HIS573 4.0 42.8 1.0
CA B:HIS573 4.1 44.9 1.0
CG B:LEU566 4.2 36.9 1.0
CB B:HIS573 4.2 43.9 1.0
NE2 B:HIS573 4.3 43.2 1.0
C34 B:WJ9801 4.5 26.3 1.0
CG1 B:VAL503 4.6 35.9 1.0
N B:HIS573 4.7 45.6 1.0
C31 B:WJ9801 4.8 26.1 1.0
ND1 B:HIS573 4.9 42.6 1.0

Fluorine binding site 7 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 7 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F801

b:54.1
occ:1.00
F37 C:WJ9801 0.0 54.1 1.0
C36 C:WJ9801 1.4 53.9 1.0
F39 C:WJ9801 2.3 55.4 1.0
F38 C:WJ9801 2.3 55.9 1.0
C35 C:WJ9801 2.4 51.7 1.0
C34 C:WJ9801 2.9 49.2 1.0
C32 C:WJ9801 3.0 49.7 1.0
CA C:GLY592 4.0 48.0 1.0
CD2 C:HIS573 4.0 48.4 1.0
O C:ILE591 4.0 43.1 1.0
NE2 C:HIS573 4.1 47.8 1.0
C C:GLY592 4.4 49.7 1.0
N29 C:WJ9801 4.4 48.7 1.0
C31 C:WJ9801 4.4 49.1 1.0
C C:ILE591 4.4 43.7 1.0
CD1 C:LEU566 4.4 51.2 1.0
N C:GLY592 4.5 45.1 1.0
CD2 C:LEU566 4.5 52.0 1.0
CG2 C:ILE512 4.5 39.7 1.0
CG2 C:ILE591 4.5 42.6 1.0
O C:GLY592 4.7 48.8 1.0
CD2 C:LEU504 4.8 52.9 1.0
N C:ASP593 4.9 51.6 1.0

Fluorine binding site 8 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 8 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F801

b:55.9
occ:1.00
F38 C:WJ9801 0.0 55.9 1.0
C36 C:WJ9801 1.4 53.9 1.0
F37 C:WJ9801 2.3 54.1 1.0
F39 C:WJ9801 2.3 55.4 1.0
C35 C:WJ9801 2.4 51.7 1.0
C32 C:WJ9801 2.9 49.7 1.0
CG1 C:VAL503 3.5 56.5 1.0
CD2 C:LEU566 3.6 52.0 1.0
C34 C:WJ9801 3.8 49.2 1.0
C31 C:WJ9801 4.2 49.1 1.0
CG2 C:ILE571 4.2 58.4 1.0
CG2 C:THR507 4.3 52.4 1.0
CD2 C:LEU504 4.5 52.9 1.0
CD1 C:LEU566 4.7 51.2 1.0
CG C:LEU566 4.8 51.1 1.0
CB C:VAL503 4.8 56.0 1.0
CG2 C:ILE512 4.9 39.7 1.0
N29 C:WJ9801 5.0 48.7 1.0

Fluorine binding site 9 out of 9 in 8qqg

Go back to Fluorine Binding Sites List in 8qqg
Fluorine binding site 9 out of 9 in the Structure of Braf in Complex with Exarafenib (Kin-2787).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Braf in Complex with Exarafenib (Kin-2787). within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F801

b:55.4
occ:1.00
F39 C:WJ9801 0.0 55.4 1.0
C36 C:WJ9801 1.4 53.9 1.0
F37 C:WJ9801 2.3 54.1 1.0
F38 C:WJ9801 2.3 55.9 1.0
C35 C:WJ9801 2.4 51.7 1.0
CD2 C:HIS573 3.3 48.4 1.0
CD1 C:LEU566 3.4 51.2 1.0
CD2 C:LEU566 3.6 52.0 1.0
C32 C:WJ9801 3.7 49.7 1.0
CG C:HIS573 3.9 49.0 1.0
CG2 C:ILE571 4.1 58.4 1.0
CG C:LEU566 4.1 51.1 1.0
NE2 C:HIS573 4.1 47.8 1.0
CA C:HIS573 4.1 52.3 1.0
CB C:HIS573 4.2 51.1 1.0
C34 C:WJ9801 4.4 49.2 1.0
ND1 C:HIS573 4.8 47.8 1.0
N C:HIS573 4.8 51.4 1.0
C31 C:WJ9801 4.9 49.1 1.0
CE1 C:HIS573 4.9 48.5 1.0
CB C:LEU566 4.9 50.4 1.0
CG1 C:VAL503 4.9 56.5 1.0

Reference:

A.Schmitt, E.Costanzi, R.Kania, Y.K.Chen. Structure of Braf in Complex with Exarafenib (Kin-2787). To Be Published.
Page generated: Wed Jul 16 06:56:56 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