Atomistry » Fluorine » PDB 6yhc-6z4b » 6yvs
Atomistry »
  Fluorine »
    PDB 6yhc-6z4b »
      6yvs »

Fluorine in PDB 6yvs: Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One

Enzymatic activity of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One

All present enzymatic activity of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One:
2.7.10.2;

Protein crystallography data

The structure of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One, PDB code: 6yvs was solved by D.Musil, T.Heinrich, M.Amaral, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 84.37 / 1.81
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.174, 76.082, 172.851, 90, 102.53, 90
R / Rfree (%) 19.2 / 21.5

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Fluorine atom in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One (pdb code 6yvs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 21 binding sites of Fluorine where determined in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One, PDB code: 6yvs:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 1 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:32.0
occ:1.00
 F16 A:PVT701 0.0 32.0 1.0
C15 A:PVT701 1.3 30.8 1.0
F18 A:PVT701 2.1 30.0 1.0
F17 A:PVT701 2.1 31.5 1.0
C12 A:PVT701 2.3 29.0 1.0
C11 A:PVT701 2.7 27.6 1.0
CB A:MET499 3.4 30.0 1.0
CG A:MET499 3.6 32.3 1.0
C13 A:PVT701 3.7 29.8 1.0
CG2 A:VAL484 3.8 35.1 1.0
CB A:VAL484 3.9 34.2 1.0
O A:GLU500 4.0 29.4 1.0
N10 A:PVT701 4.0 27.6 1.0
CD1 A:LEU553 4.1 27.0 1.0
CG1 A:VAL484 4.1 34.5 1.0
CE A:MET499 4.1 32.1 1.0
N8 A:PVT701 4.2 31.2 1.0
CB A:ALA452 4.5 30.1 1.0
O A:GLY563 4.7 40.8 1.0
N14 A:PVT701 4.7 29.2 1.0
SD A:MET499 4.8 35.3 1.0
C9 A:PVT701 4.8 28.5 1.0
CA A:MET499 4.9 30.4 1.0

Fluorine binding site 2 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 2 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:31.5
occ:1.00
 F17 A:PVT701 0.0 31.5 1.0
C15 A:PVT701 1.3 30.8 1.0
F18 A:PVT701 2.1 30.0 1.0
F16 A:PVT701 2.1 32.0 1.0
C12 A:PVT701 2.3 29.0 1.0
N8 A:PVT701 3.1 31.2 1.0
C13 A:PVT701 3.1 29.8 1.0
C11 A:PVT701 3.4 27.6 1.0
CG A:MET499 3.4 32.3 1.0
CB A:ALA452 3.4 30.1 1.0
CB A:MET499 3.5 30.0 1.0
O A:HOH933 3.9 38.5 1.0
CD A:LYS454 4.0 49.8 1.0
CG A:LYS454 4.2 44.1 1.0
N14 A:PVT701 4.3 29.2 1.0
C7 A:PVT701 4.4 32.3 1.0
N10 A:PVT701 4.6 27.6 1.0
CA A:ALA452 4.8 30.5 1.0
O A:ALA452 4.8 32.3 1.0
C9 A:PVT701 4.9 28.5 1.0
CE A:LYS454 4.9 55.3 1.0
CG1 A:VAL436 4.9 37.1 1.0
C A:ALA452 4.9 32.0 1.0
CA A:MET499 5.0 30.4 1.0

Fluorine binding site 3 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 3 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:30.0
occ:1.00
 F18 A:PVT701 0.0 30.0 1.0
C15 A:PVT701 1.3 30.8 1.0
F17 A:PVT701 2.1 31.5 1.0
F16 A:PVT701 2.1 32.0 1.0
C12 A:PVT701 2.3 29.0 1.0
N8 A:PVT701 3.0 31.2 1.0
C13 A:PVT701 3.0 29.8 1.0
C11 A:PVT701 3.4 27.6 1.0
O A:HOH933 3.5 38.5 1.0
O A:GLY563 3.7 40.8 1.0
CD1 A:LEU553 3.8 27.0 1.0
N14 A:PVT701 4.3 29.2 1.0
C7 A:PVT701 4.3 32.3 1.0
C2 A:PVT701 4.3 34.0 1.0
N10 A:PVT701 4.6 27.6 1.0
C A:GLY563 4.7 39.8 1.0
CG A:MET499 4.8 32.3 1.0
C1 A:PVT701 4.8 33.7 1.0
CG2 A:VAL484 4.8 35.1 1.0
C9 A:PVT701 4.8 28.5 1.0
CA A:GLY563 5.0 37.0 1.0
CD A:LYS454 5.0 49.8 1.0

Fluorine binding site 4 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 4 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:29.2
occ:0.50
 F16 B:PVT701 0.0 29.2 0.5
F16 B:PVT701 0.1 25.2 0.5
C15 B:PVT701 1.3 24.6 0.5
C15 B:PVT701 1.3 28.6 0.5
F18 B:PVT701 2.1 24.7 0.5
F17 B:PVT701 2.1 24.7 0.5
F18 B:PVT701 2.1 29.0 0.5
F17 B:PVT701 2.1 28.7 0.5
C12 B:PVT701 2.3 23.5 0.5
C12 B:PVT701 2.3 27.5 0.5
C11 B:PVT701 2.7 22.6 0.5
C11 B:PVT701 2.7 26.6 0.5
CB B:MET499 3.3 28.5 1.0
CG2 B:VAL484 3.3 32.0 1.0
C13 B:PVT701 3.6 23.8 0.5
C13 B:PVT701 3.7 27.6 0.5
CG B:MET499 3.7 30.6 1.0
O B:GLU500 3.8 26.9 1.0
N10 B:PVT701 4.0 21.8 0.5
N10 B:PVT701 4.0 26.0 0.5
CE B:MET499 4.1 30.0 1.0
CG1 B:VAL484 4.1 31.9 1.0
N8 B:PVT701 4.2 25.1 0.5
N8 B:PVT701 4.2 28.7 0.5
CB B:ALA452 4.3 22.7 1.0
CB B:VAL484 4.3 30.9 1.0
CD1 B:LEU553 4.4 24.6 1.0
O B:GLY563 4.7 43.8 1.0
N14 B:PVT701 4.7 22.8 0.5
CA B:MET499 4.8 28.6 1.0
N14 B:PVT701 4.8 26.8 0.5
C9 B:PVT701 4.8 22.2 0.5
SD B:MET499 4.8 33.8 1.0
C9 B:PVT701 4.8 26.3 0.5
C B:MET499 5.0 28.5 1.0
C B:GLU500 5.0 26.1 1.0

Fluorine binding site 5 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 5 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:25.2
occ:0.50
 F16 B:PVT701 0.0 25.2 0.5
F16 B:PVT701 0.1 29.2 0.5
C15 B:PVT701 1.3 24.6 0.5
C15 B:PVT701 1.4 28.6 0.5
F18 B:PVT701 2.1 24.7 0.5
F17 B:PVT701 2.1 24.7 0.5
F17 B:PVT701 2.1 28.7 0.5
F18 B:PVT701 2.2 29.0 0.5
C12 B:PVT701 2.3 23.5 0.5
C12 B:PVT701 2.4 27.5 0.5
C11 B:PVT701 2.7 22.6 0.5
C11 B:PVT701 2.7 26.6 0.5
CB B:MET499 3.3 28.5 1.0
CG2 B:VAL484 3.3 32.0 1.0
CG B:MET499 3.7 30.6 1.0
C13 B:PVT701 3.7 23.8 0.5
C13 B:PVT701 3.7 27.6 0.5
O B:GLU500 3.7 26.9 1.0
N10 B:PVT701 4.0 21.8 0.5
N10 B:PVT701 4.1 26.0 0.5
CE B:MET499 4.1 30.0 1.0
CG1 B:VAL484 4.1 31.9 1.0
N8 B:PVT701 4.2 25.1 0.5
CB B:VAL484 4.2 30.9 1.0
CB B:ALA452 4.3 22.7 1.0
N8 B:PVT701 4.3 28.7 0.5
CD1 B:LEU553 4.4 24.6 1.0
O B:GLY563 4.7 43.8 1.0
CA B:MET499 4.7 28.6 1.0
N14 B:PVT701 4.8 22.8 0.5
SD B:MET499 4.8 33.8 1.0
N14 B:PVT701 4.8 26.8 0.5
C9 B:PVT701 4.8 22.2 0.5
C9 B:PVT701 4.9 26.3 0.5
C B:MET499 4.9 28.5 1.0
C B:GLU500 4.9 26.1 1.0

Fluorine binding site 6 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 6 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:28.7
occ:0.50
 F17 B:PVT701 0.0 28.7 0.5
F17 B:PVT701 0.1 24.7 0.5
C15 B:PVT701 1.3 24.6 0.5
C15 B:PVT701 1.3 28.6 0.5
F18 B:PVT701 2.1 24.7 0.5
F18 B:PVT701 2.1 29.0 0.5
F16 B:PVT701 2.1 29.2 0.5
F16 B:PVT701 2.1 25.2 0.5
C12 B:PVT701 2.3 23.5 0.5
C12 B:PVT701 2.4 27.5 0.5
N8 B:PVT701 3.0 25.1 0.5
C13 B:PVT701 3.0 23.8 0.5
N8 B:PVT701 3.1 28.7 0.5
C13 B:PVT701 3.1 27.6 0.5
CB B:ALA452 3.3 22.7 1.0
C11 B:PVT701 3.4 22.6 0.5
C11 B:PVT701 3.4 26.6 0.5
O B:HOH917 3.7 36.0 1.0
CG B:MET499 3.8 30.6 1.0
CB B:MET499 3.8 28.5 1.0
CD B:LYS454 3.9 41.4 1.0
CG B:LYS454 4.0 35.3 1.0
N14 B:PVT701 4.3 22.8 0.5
C7 B:PVT701 4.3 26.3 0.5
N14 B:PVT701 4.3 26.8 0.5
CG1 B:VAL436 4.3 29.4 1.0
C7 B:PVT701 4.4 29.6 0.5
N10 B:PVT701 4.6 21.8 0.5
N10 B:PVT701 4.6 26.0 0.5
CA B:ALA452 4.7 23.3 1.0
C9 B:PVT701 4.8 22.2 0.5
CE B:LYS454 4.9 47.1 1.0
O B:ALA452 4.9 24.1 1.0
C B:ALA452 4.9 23.7 1.0
NZ B:LYS454 4.9 50.4 1.0
C9 B:PVT701 4.9 26.3 0.5

Fluorine binding site 7 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 7 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:24.7
occ:0.50
 F17 B:PVT701 0.0 24.7 0.5
F17 B:PVT701 0.1 28.7 0.5
C15 B:PVT701 1.3 24.6 0.5
C15 B:PVT701 1.3 28.6 0.5
F16 B:PVT701 2.1 29.2 0.5
F18 B:PVT701 2.1 24.7 0.5
F16 B:PVT701 2.1 25.2 0.5
F18 B:PVT701 2.1 29.0 0.5
C12 B:PVT701 2.4 23.5 0.5
C12 B:PVT701 2.4 27.5 0.5
N8 B:PVT701 3.1 25.1 0.5
C13 B:PVT701 3.1 23.8 0.5
N8 B:PVT701 3.1 28.7 0.5
C13 B:PVT701 3.1 27.6 0.5
CB B:ALA452 3.3 22.7 1.0
C11 B:PVT701 3.4 22.6 0.5
C11 B:PVT701 3.4 26.6 0.5
CG B:MET499 3.7 30.6 1.0
O B:HOH917 3.7 36.0 1.0
CB B:MET499 3.8 28.5 1.0
CD B:LYS454 3.9 41.4 1.0
CG B:LYS454 4.0 35.3 1.0
N14 B:PVT701 4.3 22.8 0.5
C7 B:PVT701 4.4 26.3 0.5
N14 B:PVT701 4.4 26.8 0.5
CG1 B:VAL436 4.4 29.4 1.0
C7 B:PVT701 4.4 29.6 0.5
N10 B:PVT701 4.6 21.8 0.5
N10 B:PVT701 4.6 26.0 0.5
CA B:ALA452 4.7 23.3 1.0
O B:ALA452 4.8 24.1 1.0
CE B:LYS454 4.8 47.1 1.0
C B:ALA452 4.8 23.7 1.0
NZ B:LYS454 4.9 50.4 1.0
C9 B:PVT701 4.9 22.2 0.5
C9 B:PVT701 4.9 26.3 0.5

Fluorine binding site 8 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 8 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:29.0
occ:0.50
 F18 B:PVT701 0.0 29.0 0.5
F18 B:PVT701 0.1 24.7 0.5
C15 B:PVT701 1.3 28.6 0.5
C15 B:PVT701 1.3 24.6 0.5
F16 B:PVT701 2.1 29.2 0.5
F17 B:PVT701 2.1 28.7 0.5
F17 B:PVT701 2.1 24.7 0.5
F16 B:PVT701 2.2 25.2 0.5
C12 B:PVT701 2.3 23.5 0.5
C12 B:PVT701 2.4 27.5 0.5
N8 B:PVT701 2.9 25.1 0.5
C13 B:PVT701 3.0 23.8 0.5
N8 B:PVT701 3.0 28.7 0.5
C13 B:PVT701 3.0 27.6 0.5
O B:HOH917 3.3 36.0 1.0
C11 B:PVT701 3.4 26.6 0.5
C11 B:PVT701 3.4 22.6 0.5
O B:GLY563 3.8 43.8 1.0
CD1 B:LEU553 3.9 24.6 1.0
N14 B:PVT701 4.3 22.8 0.5
N14 B:PVT701 4.3 26.8 0.5
C7 B:PVT701 4.3 26.3 0.5
C7 B:PVT701 4.4 29.6 0.5
C6 B:PVT701 4.4 28.4 0.5
C6 B:PVT701 4.4 31.3 0.5
N10 B:PVT701 4.6 26.0 0.5
N10 B:PVT701 4.6 21.8 0.5
C B:GLY563 4.7 42.4 1.0
NZ B:LYS454 4.7 50.4 1.0
C9 B:PVT701 4.8 22.2 0.5
C1 B:PVT701 4.9 27.8 0.5
C9 B:PVT701 4.9 26.3 0.5
C1 B:PVT701 4.9 30.9 0.5
CD B:LYS454 4.9 41.4 1.0
CG B:MET499 4.9 30.6 1.0
CG1 B:VAL484 5.0 31.9 1.0
CG2 B:VAL484 5.0 32.0 1.0

Fluorine binding site 9 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 9 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:24.7
occ:0.50
 F18 B:PVT701 0.0 24.7 0.5
F18 B:PVT701 0.1 29.0 0.5
C15 B:PVT701 1.3 28.6 0.5
C15 B:PVT701 1.3 24.6 0.5
F16 B:PVT701 2.1 29.2 0.5
F17 B:PVT701 2.1 28.7 0.5
F16 B:PVT701 2.1 25.2 0.5
F17 B:PVT701 2.1 24.7 0.5
C12 B:PVT701 2.4 23.5 0.5
C12 B:PVT701 2.4 27.5 0.5
N8 B:PVT701 3.0 25.1 0.5
C13 B:PVT701 3.0 23.8 0.5
N8 B:PVT701 3.1 28.7 0.5
C13 B:PVT701 3.1 27.6 0.5
O B:HOH917 3.3 36.0 1.0
C11 B:PVT701 3.4 26.6 0.5
C11 B:PVT701 3.4 22.6 0.5
O B:GLY563 3.8 43.8 1.0
CD1 B:LEU553 3.9 24.6 1.0
N14 B:PVT701 4.3 22.8 0.5
N14 B:PVT701 4.3 26.8 0.5
C7 B:PVT701 4.4 26.3 0.5
C7 B:PVT701 4.4 29.6 0.5
C6 B:PVT701 4.4 28.4 0.5
C6 B:PVT701 4.5 31.3 0.5
N10 B:PVT701 4.6 26.0 0.5
N10 B:PVT701 4.6 21.8 0.5
C B:GLY563 4.7 42.4 1.0
NZ B:LYS454 4.8 50.4 1.0
C9 B:PVT701 4.9 22.2 0.5
C9 B:PVT701 4.9 26.3 0.5
CG B:MET499 4.9 30.6 1.0
CD B:LYS454 4.9 41.4 1.0
CG1 B:VAL484 4.9 31.9 1.0
C1 B:PVT701 4.9 27.8 0.5
CG2 B:VAL484 4.9 32.0 1.0
C1 B:PVT701 5.0 30.9 0.5
CA B:GLY563 5.0 38.6 1.0

Fluorine binding site 10 out of 21 in 6yvs

Go back to Fluorine Binding Sites List in 6yvs
Fluorine binding site 10 out of 21 in the Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Focal Adhesion Kinase Catalytic Domain in Complex with 5-{4-[(Pyridin- 3-Ylmethyl)-Amino]-5-Trifluoromethyl-Pyrimidin-2-Ylamino}-1,3- Dihydro-Indol-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F701

b:36.0
occ:0.50
 F16 C:PVT701 0.0 36.0 0.5
F16 C:PVT701 0.1 29.7 0.5
C15 C:PVT701 1.3 30.0 0.5
C15 C:PVT701 1.3 36.2 0.5
F17 C:PVT701 2.1 36.2 0.5
F17 C:PVT701 2.1 30.1 0.5
F18 C:PVT701 2.1 36.2 0.5
F18 C:PVT701 2.1 29.9 0.5
C12 C:PVT701 2.3 30.1 0.5
C12 C:PVT701 2.4 36.2 0.5
N8 C:PVT701 3.0 30.2 0.5
C13 C:PVT701 3.0 30.2 0.5
N8 C:PVT701 3.0 36.2 0.5
C13 C:PVT701 3.0 36.2 0.5
CB C:ALA452 3.3 29.2 1.0
C11 C:PVT701 3.4 30.0 0.5
C11 C:PVT701 3.4 36.2 0.5
CG C:MET499 3.6 39.1 1.0
CB C:MET499 3.6 36.1 1.0
N14 C:PVT701 4.3 30.2 0.5
CD C:LYS454 4.3 54.5 1.0
N14 C:PVT701 4.3 36.3 0.5
CG C:LYS454 4.3 49.1 1.0
C7 C:PVT701 4.3 30.3 0.5
C7 C:PVT701 4.4 36.2 0.5
CG1 C:VAL436 4.5 41.3 1.0
N10 C:PVT701 4.6 30.0 0.5
N10 C:PVT701 4.6 36.2 0.5
CA C:ALA452 4.7 29.7 1.0
C9 C:PVT701 4.8 30.1 0.5
CE C:MET499 4.8 41.5 1.0
C9 C:PVT701 4.9 36.4 0.5
C C:ALA452 4.9 31.7 1.0
O C:ALA452 5.0 31.4 1.0

Reference:

B.T.Berger, M.Amaral, D.B.Kokh, A.Nunes-Alves, D.Musil, T.Heinrich, M.Schroder, R.Neil, J.Wang, I.Navratilova, J.Bomke, J.M.Elkins, S.Muller, M.Frech, R.C.Wade, S.Knapp. Structure-Kinetic Relationship Reveals the Mechanism of Selectivity of Fak Inhibitors Over PYK2. Cell Chem Biol 2021.
ISSN: ESSN 2451-9456
PubMed: 33497606
DOI: 10.1016/J.CHEMBIOL.2021.01.003
Page generated: Fri Aug 2 04:49:07 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy