Fluorine in PDB 6n0q: Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.

Enzymatic activity of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.

All present enzymatic activity of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.:
2.7.11.1;

Protein crystallography data

The structure of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide., PDB code: 6n0q was solved by M.Mamo, B.A.Appleton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.53 / 2.04
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.320, 94.320, 162.340, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.3

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. (pdb code 6n0q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide., PDB code: 6n0q:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 6n0q

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Fluorine binding site 1 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:43.2
occ:0.54
 F29 A:K7S801 0.0 43.2 0.5
F29 A:K7S801 0.6 56.0 0.5
C28 A:K7S801 1.1 56.2 0.5
C28 A:K7S801 1.3 42.6 0.5
F31 A:K7S801 1.6 55.5 0.5
F30 A:K7S801 2.1 56.6 0.5
F31 A:K7S801 2.1 41.0 0.5
F30 A:K7S801 2.1 42.9 0.5
C25 A:K7S801 2.3 55.8 0.5
C25 A:K7S801 2.4 40.8 0.5
C26 A:K7S801 3.0 54.4 0.5
C26 A:K7S801 3.2 37.6 0.5
C24 A:K7S801 3.3 56.2 0.5
C24 A:K7S801 3.4 41.3 0.5
CD2 A:LEU567 3.7 27.2 1.0
CG2 A:ILE513 4.2 23.3 1.0
CD1 A:LEU567 4.3 27.4 1.0
CD2 A:LEU505 4.3 37.5 1.0
C21 A:K7S801 4.4 53.9 0.5
C21 A:K7S801 4.4 36.4 0.5
CG1 A:VAL504 4.5 35.0 1.0
C23 A:K7S801 4.6 56.1 0.5
C23 A:K7S801 4.6 41.1 0.5
CG2 A:THR508 4.6 24.4 1.0
CG A:LEU567 4.7 26.9 1.0
CG2 A:ILE572 4.8 28.9 1.0
C22 A:K7S801 5.0 55.5 0.5

Fluorine binding site 2 out of 12 in 6n0q

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Fluorine binding site 2 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:56.0
occ:0.46
 F29 A:K7S801 0.0 56.0 0.5
F29 A:K7S801 0.6 43.2 0.5
C28 A:K7S801 1.3 56.2 0.5
C28 A:K7S801 1.6 42.6 0.5
F30 A:K7S801 2.1 42.9 0.5
F31 A:K7S801 2.1 55.5 0.5
F30 A:K7S801 2.1 56.6 0.5
C25 A:K7S801 2.4 55.8 0.5
C25 A:K7S801 2.5 40.8 0.5
F31 A:K7S801 2.6 41.0 0.5
C24 A:K7S801 3.2 56.2 0.5
C24 A:K7S801 3.2 41.3 0.5
C26 A:K7S801 3.3 54.4 0.5
C26 A:K7S801 3.4 37.6 0.5
CD2 A:LEU567 3.6 27.2 1.0
CG1 A:VAL504 3.9 35.0 1.0
CG2 A:ILE572 4.3 28.9 1.0
CD2 A:LEU505 4.3 37.5 1.0
CD1 A:LEU567 4.4 27.4 1.0
CG2 A:THR508 4.4 24.4 1.0
C23 A:K7S801 4.5 56.1 0.5
C23 A:K7S801 4.5 41.1 0.5
C21 A:K7S801 4.5 53.9 0.5
CG2 A:ILE513 4.6 23.3 1.0
C21 A:K7S801 4.6 36.4 0.5
CG A:LEU567 4.7 26.9 1.0
CD1 A:ILE572 4.8 28.2 1.0

Fluorine binding site 3 out of 12 in 6n0q

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Fluorine binding site 3 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:42.9
occ:0.54
 F30 A:K7S801 0.0 42.9 0.5
F30 A:K7S801 0.3 56.6 0.5
C28 A:K7S801 1.3 42.6 0.5
C28 A:K7S801 1.4 56.2 0.5
F29 A:K7S801 2.1 56.0 0.5
F31 A:K7S801 2.1 41.0 0.5
F29 A:K7S801 2.1 43.2 0.5
F31 A:K7S801 2.3 55.5 0.5
C25 A:K7S801 2.3 55.8 0.5
C25 A:K7S801 2.4 40.8 0.5
C24 A:K7S801 2.8 56.2 0.5
C24 A:K7S801 2.9 41.3 0.5
C26 A:K7S801 3.6 54.4 0.5
C26 A:K7S801 3.6 37.6 0.5
CD2 A:HIS574 3.8 29.9 1.0
CG2 A:ILE572 3.8 28.9 1.0
CD1 A:LEU567 3.9 27.4 1.0
C23 A:K7S801 4.1 56.1 0.5
CG A:HIS574 4.2 28.9 1.0
C23 A:K7S801 4.3 41.1 0.5
CD2 A:LEU567 4.3 27.2 1.0
NE2 A:HIS574 4.4 29.7 1.0
CA A:HIS574 4.4 25.9 1.0
CG1 A:VAL504 4.5 35.0 1.0
CB A:HIS574 4.5 26.2 1.0
C21 A:K7S801 4.7 53.9 0.5
CG A:LEU567 4.8 26.9 1.0
C21 A:K7S801 4.8 36.4 0.5
C22 A:K7S801 4.9 55.5 0.5
ND1 A:HIS574 5.0 30.2 1.0

Fluorine binding site 4 out of 12 in 6n0q

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Fluorine binding site 4 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:56.6
occ:0.46
 F30 A:K7S801 0.0 56.6 0.5
F30 A:K7S801 0.3 42.9 0.5
C28 A:K7S801 1.3 42.6 0.5
C28 A:K7S801 1.3 56.2 0.5
F31 A:K7S801 1.9 41.0 0.5
F29 A:K7S801 2.1 43.2 0.5
F31 A:K7S801 2.1 55.5 0.5
F29 A:K7S801 2.1 56.0 0.5
C25 A:K7S801 2.4 55.8 0.5
C25 A:K7S801 2.5 40.8 0.5
C24 A:K7S801 2.9 56.2 0.5
C24 A:K7S801 3.0 41.3 0.5
C26 A:K7S801 3.6 54.4 0.5
CD2 A:HIS574 3.6 29.9 1.0
C26 A:K7S801 3.6 37.6 0.5
CD1 A:LEU567 3.8 27.4 1.0
CG2 A:ILE572 4.0 28.9 1.0
CG A:HIS574 4.1 28.9 1.0
NE2 A:HIS574 4.2 29.7 1.0
CD2 A:LEU567 4.3 27.2 1.0
C23 A:K7S801 4.3 56.1 0.5
CA A:HIS574 4.4 25.9 1.0
C23 A:K7S801 4.4 41.1 0.5
CB A:HIS574 4.4 26.2 1.0
CG A:LEU567 4.7 26.9 1.0
CG1 A:VAL504 4.7 35.0 1.0
C21 A:K7S801 4.7 53.9 0.5
C21 A:K7S801 4.8 36.4 0.5
ND1 A:HIS574 4.9 30.2 1.0
CE1 A:HIS574 4.9 29.8 1.0

Fluorine binding site 5 out of 12 in 6n0q

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Fluorine binding site 5 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:41.0
occ:0.54
 F31 A:K7S801 0.0 41.0 0.5
F31 A:K7S801 0.7 55.5 0.5
C28 A:K7S801 1.4 42.6 0.5
C28 A:K7S801 1.5 56.2 0.5
F30 A:K7S801 1.9 56.6 0.5
F30 A:K7S801 2.1 42.9 0.5
F29 A:K7S801 2.1 43.2 0.5
C25 A:K7S801 2.4 55.8 0.5
C25 A:K7S801 2.4 40.8 0.5
F29 A:K7S801 2.6 56.0 0.5
C26 A:K7S801 2.8 54.4 0.5
C26 A:K7S801 2.8 37.6 0.5
CD2 A:HIS574 3.4 29.9 1.0
C24 A:K7S801 3.6 56.2 0.5
NE2 A:HIS574 3.6 29.7 1.0
C24 A:K7S801 3.7 41.3 0.5
C A:GLY593 3.8 34.0 1.0
CA A:GLY593 3.8 28.0 1.0
O A:GLY593 4.0 32.6 1.0
CG2 A:ILE592 4.0 26.8 1.0
C21 A:K7S801 4.1 53.9 0.5
CD1 A:LEU567 4.1 27.4 1.0
C21 A:K7S801 4.2 36.4 0.5
N A:ASP594 4.2 35.3 1.0
N A:GLY593 4.3 28.4 1.0
O A:ILE592 4.3 29.0 1.0
C A:ILE592 4.4 30.8 1.0
CG A:HIS574 4.4 28.9 1.0
CE1 A:HIS574 4.7 29.8 1.0
C23 A:K7S801 4.7 56.1 0.5
CB A:ASP594 4.8 39.5 1.0
C23 A:K7S801 4.8 41.1 0.5
CD2 A:LEU567 4.8 27.2 1.0
O27 A:K7S801 4.9 49.9 0.5
C22 A:K7S801 4.9 55.5 0.5
O27 A:K7S801 4.9 27.6 0.5

Fluorine binding site 6 out of 12 in 6n0q

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Fluorine binding site 6 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:55.5
occ:0.46
 F31 A:K7S801 0.0 55.5 0.5
F31 A:K7S801 0.7 41.0 0.5
C28 A:K7S801 1.3 42.6 0.5
C28 A:K7S801 1.4 56.2 0.5
F29 A:K7S801 1.6 43.2 0.5
F29 A:K7S801 2.1 56.0 0.5
F30 A:K7S801 2.1 56.6 0.5
F30 A:K7S801 2.3 42.9 0.5
C25 A:K7S801 2.4 55.8 0.5
C25 A:K7S801 2.5 40.8 0.5
C26 A:K7S801 2.8 54.4 0.5
C26 A:K7S801 2.8 37.6 0.5
C24 A:K7S801 3.7 56.2 0.5
C24 A:K7S801 3.8 41.3 0.5
CA A:GLY593 3.9 28.0 1.0
O A:ILE592 4.0 29.0 1.0
CD2 A:HIS574 4.1 29.9 1.0
CD1 A:LEU567 4.1 27.4 1.0
C21 A:K7S801 4.2 53.9 0.5
C A:GLY593 4.2 34.0 1.0
C21 A:K7S801 4.2 36.4 0.5
CG2 A:ILE592 4.2 26.8 1.0
NE2 A:HIS574 4.4 29.7 1.0
C A:ILE592 4.4 30.8 1.0
CD2 A:LEU567 4.4 27.2 1.0
CG2 A:ILE513 4.4 23.3 1.0
N A:GLY593 4.4 28.4 1.0
O A:GLY593 4.5 32.6 1.0
N A:ASP594 4.6 35.3 1.0
C23 A:K7S801 4.8 56.1 0.5
O27 A:K7S801 4.9 49.9 0.5
C23 A:K7S801 4.9 41.1 0.5
CG A:LEU567 4.9 26.9 1.0
O27 A:K7S801 4.9 27.6 0.5
CD2 A:LEU505 5.0 37.5 1.0

Fluorine binding site 7 out of 12 in 6n0q

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Fluorine binding site 7 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:51.0
occ:0.41
 F29 B:K7S801 0.0 51.0 0.4
F29 B:K7S801 0.6 41.7 0.6
C28 B:K7S801 1.3 49.9 0.4
C28 B:K7S801 1.4 40.0 0.6
F30 B:K7S801 1.9 41.5 0.6
F31 B:K7S801 2.1 47.7 0.4
F30 B:K7S801 2.1 50.7 0.4
C25 B:K7S801 2.4 38.3 0.6
F31 B:K7S801 2.4 36.5 0.6
C25 B:K7S801 2.4 49.2 0.4
C24 B:K7S801 3.1 37.8 0.6
C26 B:K7S801 3.2 47.5 0.4
C24 B:K7S801 3.3 49.0 0.4
C26 B:K7S801 3.3 34.7 0.6
CD2 B:LEU567 3.6 26.8 1.0
CD1 B:LEU567 4.1 28.2 1.0
CG1 B:VAL504 4.1 32.8 1.0
CG2 B:ILE572 4.3 29.0 1.0
CD2 B:LEU505 4.4 33.6 1.0
C23 B:K7S801 4.4 35.7 0.6
C21 B:K7S801 4.5 46.1 0.4
CG B:LEU567 4.5 27.0 1.0
CG2 B:THR508 4.5 21.9 1.0
C21 B:K7S801 4.5 32.5 0.6
CG2 B:ILE513 4.5 23.3 1.0
C23 B:K7S801 4.5 48.1 0.4
C22 B:K7S801 5.0 33.7 0.6

Fluorine binding site 8 out of 12 in 6n0q

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Fluorine binding site 8 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:41.7
occ:0.58
 F29 B:K7S801 0.0 41.7 0.6
F29 B:K7S801 0.6 51.0 0.4
C28 B:K7S801 1.3 40.0 0.6
C28 B:K7S801 1.4 49.9 0.4
F31 B:K7S801 1.8 47.7 0.4
F31 B:K7S801 2.1 36.5 0.6
F30 B:K7S801 2.2 41.5 0.6
F30 B:K7S801 2.4 50.7 0.4
C25 B:K7S801 2.4 38.3 0.6
C25 B:K7S801 2.5 49.2 0.4
C26 B:K7S801 3.1 47.5 0.4
C26 B:K7S801 3.1 34.7 0.6
C24 B:K7S801 3.4 37.8 0.6
C24 B:K7S801 3.5 49.0 0.4
CD2 B:LEU567 3.6 26.8 1.0
CD1 B:LEU567 4.1 28.2 1.0
CG2 B:ILE513 4.1 23.3 1.0
CD2 B:LEU505 4.3 33.6 1.0
C21 B:K7S801 4.4 46.1 0.4
C21 B:K7S801 4.4 32.5 0.6
CG B:LEU567 4.5 27.0 1.0
C23 B:K7S801 4.6 35.7 0.6
CG2 B:THR508 4.6 21.9 1.0
CG1 B:VAL504 4.6 32.8 1.0
C23 B:K7S801 4.7 48.1 0.4
CG2 B:ILE572 4.8 29.0 1.0
C22 B:K7S801 5.0 33.7 0.6

Fluorine binding site 9 out of 12 in 6n0q

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Fluorine binding site 9 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:50.7
occ:0.41
 F30 B:K7S801 0.0 50.7 0.4
F30 B:K7S801 0.2 41.5 0.6
C28 B:K7S801 1.3 49.9 0.4
C28 B:K7S801 1.5 40.0 0.6
F31 B:K7S801 2.1 47.7 0.4
F29 B:K7S801 2.1 51.0 0.4
F31 B:K7S801 2.1 36.5 0.6
F29 B:K7S801 2.4 41.7 0.6
C25 B:K7S801 2.4 49.2 0.4
C25 B:K7S801 2.4 38.3 0.6
C24 B:K7S801 2.9 49.0 0.4
C24 B:K7S801 2.9 37.8 0.6
C26 B:K7S801 3.6 47.5 0.4
C26 B:K7S801 3.7 34.7 0.6
CD2 B:HIS574 3.7 31.7 1.0
CD1 B:LEU567 3.7 28.2 1.0
CG2 B:ILE572 3.9 29.0 1.0
O B:HOH946 4.0 61.6 1.0
CG B:HIS574 4.0 30.2 1.0
CA B:HIS574 4.2 26.1 1.0
C23 B:K7S801 4.2 35.7 0.6
C23 B:K7S801 4.2 48.1 0.4
NE2 B:HIS574 4.3 32.0 1.0
CB B:HIS574 4.3 26.8 1.0
CD2 B:LEU567 4.4 26.8 1.0
O B:HOH1026 4.4 76.1 1.0
CG B:LEU567 4.7 27.0 1.0
ND1 B:HIS574 4.7 32.9 1.0
C21 B:K7S801 4.8 46.1 0.4
CG1 B:VAL504 4.8 32.8 1.0
C21 B:K7S801 4.8 32.5 0.6
CE1 B:HIS574 4.8 32.4 1.0
O B:HIS574 4.9 28.8 1.0
O B:ILE573 5.0 27.0 1.0
N B:HIS574 5.0 25.9 1.0

Fluorine binding site 10 out of 12 in 6n0q

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Fluorine binding site 10 out of 12 in the Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Braf in Complex with N-(4-Methyl-3-(1-Methyl-2-Oxo-2,3-Dihydro-1H- Benzo[D]Imidazol-5-Yl)Phenyl)-3-(Trifluoromethyl)Benzamide. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:41.5
occ:0.58
 F30 B:K7S801 0.0 41.5 0.6
F30 B:K7S801 0.2 50.7 0.4
C28 B:K7S801 1.2 49.9 0.4
C28 B:K7S801 1.3 40.0 0.6
F29 B:K7S801 1.9 51.0 0.4
F31 B:K7S801 2.0 47.7 0.4
F31 B:K7S801 2.1 36.5 0.6
F29 B:K7S801 2.2 41.7 0.6
C25 B:K7S801 2.3 49.2 0.4
C25 B:K7S801 2.4 38.3 0.6
C24 B:K7S801 2.9 37.8 0.6
C24 B:K7S801 2.9 49.0 0.4
C26 B:K7S801 3.5 47.5 0.4
C26 B:K7S801 3.6 34.7 0.6
CD1 B:LEU567 3.7 28.2 1.0
CD2 B:HIS574 3.8 31.7 1.0
CG2 B:ILE572 3.8 29.0 1.0
O B:HOH946 4.2 61.6 1.0
CG B:HIS574 4.2 30.2 1.0
CD2 B:LEU567 4.2 26.8 1.0
C23 B:K7S801 4.2 35.7 0.6
C23 B:K7S801 4.3 48.1 0.4
CA B:HIS574 4.4 26.1 1.0
NE2 B:HIS574 4.4 32.0 1.0
O B:HOH1026 4.5 76.1 1.0
CB B:HIS574 4.5 26.8 1.0
CG B:LEU567 4.6 27.0 1.0
CG1 B:VAL504 4.7 32.8 1.0
C21 B:K7S801 4.7 46.1 0.4
C21 B:K7S801 4.8 32.5 0.6
ND1 B:HIS574 4.9 32.9 1.0

Reference:

S.Ramurthy, B.R.Taft, R.J.Aversa, P.A.Barsanti, M.T.Burger, Y.Lou, G.A.Nishiguchi, A.Rico, L.Setti, A.Smith, S.Subramanian, V.Tamez, H.Tanner, L.Wan, C.Hu, B.A.Appleton, M.Mamo, L.Tandeske, J.E.Tellew, S.Huang, Q.Yue, A.Chaudhary, H.Tian, R.Iyer, A.Q.Hassan, L.A.Mathews Griner, L.R.La Bonte, V.G.Cooke, A.Van Abbema, H.Merritt, K.Gampa, F.Feng, J.Yuan, Y.Mishina, Y.Wang, J.R.Haling, S.Vaziri, M.Hekmat-Nejad, V.Polyakov, R.Zang, V.Sethuraman, P.Amiri, M.Singh, W.R.Sellers, E.Lees, W.Shao, M.P.Dillon, D.D.Stuart. Design and Discovery of N-(3-(2-(2-Hydroxyethoxy)-6-Morpholinopyridin-4-Yl) -4-Methylphenyl)-2-(Trifluoromethyl)Isonicotinamide, A Selective, Efficacious, and Well-Tolerated Raf Inhibitor Targeting Ras Mutant Cancers: the Path to the Clinic. J.Med.Chem. 2019.
ISSN: ISSN 0022-2623
PubMed: 31059256
DOI: 10.1021/ACS.JMEDCHEM.9B00161
Page generated: Sun Dec 13 12:59:22 2020

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