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Fluorine in PDB 4cd0: Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol
Enzymatic activity of Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol
All present enzymatic activity of Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol:
2.7.10.1;
2.7.10.1;
Protein crystallography data
The structure of Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol, PDB code: 4cd0
was solved by
M.Mctigue,
Y.Deng,
W.Liu,
A.Brooun,
A.Stewart,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 52.33 / 2.23 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 51.452, 57.667, 104.656, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 19.8 / 25 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol
(pdb code 4cd0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol, PDB code: 4cd0:
In total only one binding site of Fluorine was determined in the Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol, PDB code: 4cd0:
Fluorine binding site 1 out of 1 in 4cd0
Go back to
Fluorine Binding Sites List in 4cd0
Fluorine binding site 1 out
of 1 in the Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol
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 Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2H-1,2,3-Triazol-2-Yl) Phenyl)Ethoxy)Pyridin-3-Yl)-4-Methylthiazol-2-Yl)Propane-1,2-Diol within 5.0Å range:
|
Reference:
Q.Huang,
T.W.Johnson,
S.Bailey,
A.Brooun,
K.D.Bunker,
B.J.Burke,
M.R.Collins,
A.Cook,
J.J.Cui,
K.N.Dack,
J.G.Deal,
Y.Deng,
D.M.Dinh,
L.D.Engstrom,
M.He,
J.Hoffman,
R.L.Hoffman,
H.Shen,
P.Johnson,
R.S.Kania,
H.Lam,
J.L.Lam,
P.Le,
Q.Li,
L.Lingardo,
W.Liu,
M.West Lu,
M.A.Mctigue,
C.L.Palmer,
P.F.Richardson,
N.W.Sach,
T.Smeal,
G.L.Smith,
A.E.Stewart,
S.L.Timofeevski,
K.Tsaparikos,
H.Wang,
H.Zhu,
J.Zhu,
H.Y.Zou,
M.Edwards.
The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem. V. 57 1170 2014.
ISSN: ISSN 0022-2623
PubMed: 24432909
DOI: 10.1021/JM401805H
Page generated: Thu Aug 1 00:42:49 2024
ISSN: ISSN 0022-2623
PubMed: 24432909
DOI: 10.1021/JM401805H
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