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Fluorine in PDB 6dki: Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
Enzymatic activity of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
All present enzymatic activity of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19., PDB code: 6dki
was solved by
S.E.Greasley,
E.Johnson,
M.L.Kraus,
C.N.Cronin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 40.73 / 2.11 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 113.640, 45.510, 79.320, 90.00, 126.56, 90.00 |
| R / Rfree (%) | 18.4 / 22.7 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
(pdb code 6dki). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19., PDB code: 6dki:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;
In total 5 binding sites of Fluorine where determined in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19., PDB code: 6dki:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;
Fluorine binding site 1 out of 5 in 6dki
Go back to
Fluorine Binding Sites List in 6dki
Fluorine binding site 1 out
of 5 in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19. within 5.0Å range:
|
Fluorine binding site 2 out of 5 in 6dki
Go back to
Fluorine Binding Sites List in 6dki
Fluorine binding site 2 out
of 5 in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19. within 5.0Å range:
|
Fluorine binding site 3 out of 5 in 6dki
Go back to
Fluorine Binding Sites List in 6dki
Fluorine binding site 3 out
of 5 in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19. within 5.0Å range:
|
Fluorine binding site 4 out of 5 in 6dki
Go back to
Fluorine Binding Sites List in 6dki
Fluorine binding site 4 out
of 5 in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19. within 5.0Å range:
|
Fluorine binding site 5 out of 5 in 6dki
Go back to
Fluorine Binding Sites List in 6dki
Fluorine binding site 5 out
of 5 in the Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of Trk-A in Complex with the Pan-Trk Kinase Inhibitor, Compound 19. within 5.0Å range:
|
Reference:
S.K.Bagal,
M.Andrews,
B.M.Bechle,
J.Bian,
J.Bilsland,
D.C.Blakemore,
J.F.Braganza,
P.J.Bungay,
M.S.Corbett,
C.N.Cronin,
J.J.Cui,
R.Dias,
N.J.Flanagan,
S.E.Greasley,
R.Grimley,
K.James,
E.Johnson,
L.Kitching,
M.L.Kraus,
I.Mcalpine,
A.Nagata,
S.Ninkovic,
K.Omoto,
S.Scales,
S.E.Skerratt,
J.Sun,
M.Tran-Dube,
G.J.Waldron,
F.Wang,
J.S.Warmus.
Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors For the Treatment of Pain. J. Med. Chem. V. 61 6779 2018.
ISSN: ISSN 1520-4804
PubMed: 29944371
DOI: 10.1021/ACS.JMEDCHEM.8B00633
Page generated: Thu Aug 1 19:00:13 2024
ISSN: ISSN 1520-4804
PubMed: 29944371
DOI: 10.1021/ACS.JMEDCHEM.8B00633
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