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Zinc in PDB 4n3r: Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide)Enzymatic activity of Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide)
All present enzymatic activity of Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide):
2.4.2.30; Protein crystallography data
The structure of Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide), PDB code: 4n3r
was solved by
X.Huang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4n3r:
The structure of Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide) also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide)
(pdb code 4n3r). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide), PDB code: 4n3r: Jump to Zinc binding site number: 1; 2; Zinc binding site 1 out of 2 in 4n3rGo back to Zinc Binding Sites List in 4n3r
Zinc binding site 1 out
of 2 in the Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide)
Mono view Stereo pair view
Zinc binding site 2 out of 2 in 4n3rGo back to Zinc Binding Sites List in 4n3r
Zinc binding site 2 out
of 2 in the Co-Crystal Structure of Tankyrase 1 with Compound 2 (5-(2- Aminoquinazolin-6-Yl)-N-(4,4-Dimethyl-2-Oxo-1,2,3,4- Tetrahydroquinolin-7-Yl)-2-Fluorobenzamide)
Mono view Stereo pair view
Reference:
H.Huang,
A.Guzman-Perez,
L.Acquaviva,
V.Berry,
H.Bregman,
J.Dovey,
H.Gunaydin,
X.Huang,
L.Huang,
D.Saffran,
R.Serafino,
S.Schneider,
C.Wilson,
E.F.Dimauro.
Structure-Based Design of 2-Aminopyridine Oxazolidinones As Potent and Selective Tankyrase Inhibitors. Acs Med Chem Lett V. 4 1218 2013.
Page generated: Wed Dec 16 05:36:28 2020
ISSN: ISSN 1948-5875 PubMed: 24900633 DOI: 10.1021/ML4003315 |
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