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Fluorine in PDB 5fdx: Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.

Enzymatic activity of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.

All present enzymatic activity of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.:
2.7.10.1;

Protein crystallography data

The structure of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution., PDB code: 5fdx was solved by S.G.Bartual, D.M.Pinkas, Z.Wang, K.Ding, P.Mahajan, K.Kupinska, S.Mukhopadhyay, C.Strain-Damerell, R.Chalk, O.Borkowska, R.Talon, J.Kopec, E.Williams, C.Tallant, A.Chaikuad, F.Sorell, J.Newman, N.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.44 / 2.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.548, 120.340, 63.020, 90.00, 94.87, 90.00
R / Rfree (%) 19.4 / 27.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. (pdb code 5fdx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution., PDB code: 5fdx:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5fdx

Go back to Fluorine Binding Sites List in 5fdx
Fluorine binding site 1 out of 6 in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:41.0
occ:1.00
 F01 A:5X11001 0.0 41.0 1.0
CAA A:5X11001 1.3 37.1 1.0
F03 A:5X11001 2.2 35.5 1.0
F02 A:5X11001 2.2 36.5 1.0
CAY A:5X11001 2.3 35.0 1.0
CAK A:5X11001 2.8 33.2 1.0
CD1 A:LEU679 3.1 52.9 1.0
CG2 A:ILE684 3.5 44.3 1.0
CAJ A:5X11001 3.6 37.4 1.0
O A:ILE782 3.9 43.1 1.0
CG2 A:ILE685 4.0 39.0 1.0
CBB A:5X11001 4.2 37.3 1.0
CG A:LEU679 4.4 54.3 1.0
CAZ A:5X11001 4.6 37.2 1.0
CB A:LEU679 4.7 50.3 1.0
CA A:ALA783 4.8 40.5 1.0
C A:ILE782 4.8 42.8 1.0
C A:ALA783 4.8 41.5 1.0
O A:ALA783 4.9 40.6 1.0
CD1 A:LEU757 4.9 41.7 1.0
CD2 A:LEU757 4.9 43.0 1.0
CAL A:5X11001 4.9 38.1 1.0
CB A:ILE684 4.9 47.1 1.0

Fluorine binding site 2 out of 6 in 5fdx

Go back to Fluorine Binding Sites List in 5fdx
Fluorine binding site 2 out of 6 in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:36.5
occ:1.00
 F02 A:5X11001 0.0 36.5 1.0
CAA A:5X11001 1.3 37.1 1.0
F03 A:5X11001 2.2 35.5 1.0
F01 A:5X11001 2.2 41.0 1.0
CAY A:5X11001 2.4 35.0 1.0
O A:ALA783 3.1 40.6 1.0
NE2 A:HIS764 3.2 36.0 1.0
CAK A:5X11001 3.2 33.2 1.0
CD2 A:HIS764 3.2 36.7 1.0
CAJ A:5X11001 3.3 37.4 1.0
C A:ALA783 3.6 41.5 1.0
CB A:ASP784 4.0 38.9 1.0
CG2 A:ILE782 4.1 33.4 1.0
CA A:ALA783 4.1 40.5 1.0
O A:ILE782 4.2 43.1 1.0
N A:ASP784 4.2 37.3 1.0
CBB A:5X11001 4.4 37.3 1.0
CE1 A:HIS764 4.4 35.4 1.0
CG A:HIS764 4.4 34.5 1.0
N A:ALA783 4.4 40.9 1.0
C A:ILE782 4.5 42.8 1.0
CAZ A:5X11001 4.6 37.2 1.0
CD1 A:LEU757 4.7 41.7 1.0
CA A:ASP784 4.7 37.6 1.0
CD1 A:LEU679 5.0 52.9 1.0

Fluorine binding site 3 out of 6 in 5fdx

Go back to Fluorine Binding Sites List in 5fdx
Fluorine binding site 3 out of 6 in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:35.5
occ:1.00
 F03 A:5X11001 0.0 35.5 1.0
CAA A:5X11001 1.3 37.1 1.0
F02 A:5X11001 2.2 36.5 1.0
F01 A:5X11001 2.2 41.0 1.0
CAY A:5X11001 2.4 35.0 1.0
CAJ A:5X11001 2.8 37.4 1.0
CE1 A:PHE762 3.3 34.8 1.0
CD1 A:LEU679 3.4 52.9 1.0
CZ A:PHE762 3.6 34.2 1.0
CAK A:5X11001 3.6 33.2 1.0
CAZ A:5X11001 4.1 37.2 1.0
CD2 A:HIS764 4.2 36.7 1.0
CD1 A:LEU757 4.2 41.7 1.0
CD1 A:PHE762 4.3 35.4 1.0
CD2 A:LEU757 4.4 43.0 1.0
NE2 A:HIS764 4.7 36.0 1.0
CG A:LEU679 4.7 54.3 1.0
CE2 A:PHE762 4.8 38.1 1.0
CBB A:5X11001 4.8 37.3 1.0
CG A:LEU757 5.0 43.3 1.0
CAL A:5X11001 5.0 38.1 1.0
CD2 A:LEU679 5.0 56.7 1.0

Fluorine binding site 4 out of 6 in 5fdx

Go back to Fluorine Binding Sites List in 5fdx
Fluorine binding site 4 out of 6 in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:46.2
occ:1.00
 F01 B:5X11001 0.0 46.2 1.0
CAA B:5X11001 1.3 44.0 1.0
F02 B:5X11001 2.2 42.4 1.0
F03 B:5X11001 2.2 45.2 1.0
CAY B:5X11001 2.3 41.3 1.0
CAK B:5X11001 2.8 41.8 1.0
CD1 B:LEU679 3.2 60.2 1.0
CAJ B:5X11001 3.6 41.7 1.0
CG2 B:ILE684 3.6 53.1 1.0
CG2 B:ILE685 3.9 53.0 1.0
CBB B:5X11001 4.2 45.4 1.0
O B:ILE782 4.3 53.6 1.0
CG B:LEU679 4.5 61.8 1.0
CA B:ALA783 4.7 48.7 1.0
CAZ B:5X11001 4.7 43.5 1.0
CD2 B:LEU757 4.8 54.8 1.0
C B:ILE782 4.8 52.8 1.0
CAL B:5X11001 4.9 45.5 1.0
CB B:LEU679 4.9 59.8 1.0
C B:ALA783 4.9 51.8 1.0
CB B:ILE684 5.0 54.8 1.0
CD2 B:HIS764 5.0 45.7 1.0
N B:ILE685 5.0 52.9 1.0

Fluorine binding site 5 out of 6 in 5fdx

Go back to Fluorine Binding Sites List in 5fdx
Fluorine binding site 5 out of 6 in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:42.4
occ:1.00
 F02 B:5X11001 0.0 42.4 1.0
CAA B:5X11001 1.4 44.0 1.0
F03 B:5X11001 2.2 45.2 1.0
F01 B:5X11001 2.2 46.2 1.0
CAY B:5X11001 2.4 41.3 1.0
CAK B:5X11001 3.0 41.8 1.0
NE2 B:HIS764 3.1 45.5 1.0
CD2 B:HIS764 3.2 45.7 1.0
C B:ALA783 3.3 51.8 1.0
O B:ALA783 3.4 51.5 1.0
CAJ B:5X11001 3.4 41.7 1.0
CA B:ALA783 3.7 48.7 1.0
N B:ASP784 3.7 47.5 1.0
CB B:ASP784 3.8 46.7 1.0
N B:ALA783 4.0 48.5 1.0
CG2 B:ILE782 4.0 50.4 1.0
CBB B:5X11001 4.1 45.4 1.0
CE1 B:HIS764 4.3 44.4 1.0
C B:ILE782 4.3 52.8 1.0
O B:ILE782 4.4 53.6 1.0
CA B:ASP784 4.4 46.0 1.0
CG B:HIS764 4.4 43.5 1.0
CAZ B:5X11001 4.6 43.5 1.0
CG2 B:ILE685 4.9 53.0 1.0
CAL B:5X11001 4.9 45.5 1.0
CG B:ASP784 4.9 56.7 1.0
CB B:ILE782 4.9 51.4 1.0
OD2 B:ASP784 4.9 62.6 1.0
ND1 B:HIS764 5.0 44.4 1.0

Fluorine binding site 6 out of 6 in 5fdx

Go back to Fluorine Binding Sites List in 5fdx
Fluorine binding site 6 out of 6 in the Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:45.2
occ:1.00
 F03 B:5X11001 0.0 45.2 1.0
CAA B:5X11001 1.3 44.0 1.0
F02 B:5X11001 2.2 42.4 1.0
F01 B:5X11001 2.2 46.2 1.0
CAY B:5X11001 2.3 41.3 1.0
CAJ B:5X11001 2.7 41.7 1.0
CE2 B:PHE762 3.3 51.5 1.0
CAK B:5X11001 3.6 41.8 1.0
CD1 B:LEU679 3.7 60.2 1.0
CZ B:PHE762 3.8 49.8 1.0
CD2 B:HIS764 3.9 45.7 1.0
CAZ B:5X11001 4.2 43.5 1.0
NE2 B:HIS764 4.4 45.5 1.0
CD2 B:PHE762 4.4 49.8 1.0
CD2 B:LEU757 4.5 54.8 1.0
CD1 B:LEU757 4.5 49.9 1.0
CBB B:5X11001 4.7 45.4 1.0
CG B:HIS764 4.7 43.5 1.0
CB B:ASP784 4.8 46.7 1.0
CAL B:5X11001 4.9 45.5 1.0

Reference:

S.G.Bartual, K.Ding, Z.Wang, N.A.Bullock. Structure of DDR1 Receptor Tyrosine Kinase in Complex with D2164 Inhibitor at 2.65 Angstroms Resolution. To Be Published.
Page generated: Thu Aug 1 09:23:12 2024

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