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Atomistry » Fluorine » PDB 4zzj-5ah8 » 5a9u | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 4zzj-5ah8 » 5a9u » |
Fluorine in PDB 5a9u: Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile).Enzymatic activity of Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile).
All present enzymatic activity of Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile).:
2.7.10.1; Protein crystallography data
The structure of Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile)., PDB code: 5a9u
was solved by
M.Mctigue,
Y.-L.Deng,
W.Liu,
A.Brooun,
A.Stewart,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile).
(pdb code 5a9u). 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 C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile)., PDB code: 5a9u: Fluorine binding site 1 out of 1 in 5a9uGo back to Fluorine Binding Sites List in 5a9u
Fluorine binding site 1 out
of 1 in the Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Pf-06463922 ((10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl- 15-Oxo- 10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo(4,3-H)(2,5,11) Benzoxadiazacyclotetradecine-3-Carbonitrile).
Mono view Stereo pair view
Reference:
A.T.Shaw,
L.Friboulet,
I.Leshchiner,
J.F.Gainor,
S.Bergqvist,
A.Brooun,
B.J.Burke,
Y.Deng,
W.Liu,
L.Dardaei,
R.L.Frias,
K.R.Schultz,
J.Logan,
L.P.James,
T.Smeal,
S.Timofeevski,
R.Katayama,
A.J.Iafrate,
L.Le,
M.Mctigue,
G.Getz,
T.W.Johnson,
J.A.Engelman.
Resensitization to Crizotinib By the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med. V. 374 54 2016.
Page generated: Sun Dec 13 12:17:58 2020
ISSN: ISSN 0028-4793 PubMed: 26698910 DOI: 10.1056/NEJMOA1508887 |
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