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Atomistry » Sodium » PDB 4lh6-4lzw » 4li7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Sodium » PDB 4lh6-4lzw » 4li7 » |
Sodium in PDB 4li7: Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-MethoxybenzamideEnzymatic activity of Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide
All present enzymatic activity of Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide:
2.4.2.30; Protein crystallography data
The structure of Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide, PDB code: 4li7
was solved by
C.A.Kirby,
T.Stams,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4li7:
The structure of Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide
(pdb code 4li7). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide, PDB code: 4li7: Jump to Sodium binding site number: 1; 2; Sodium binding site 1 out of 2 in 4li7Go back to Sodium Binding Sites List in 4li7
Sodium binding site 1 out
of 2 in the Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide
Mono view Stereo pair view
Sodium binding site 2 out of 2 in 4li7Go back to Sodium Binding Sites List in 4li7
Sodium binding site 2 out
of 2 in the Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide
Mono view Stereo pair view
Reference:
M.D.Shultz,
A.K.Cheung,
C.A.Kirby,
B.Firestone,
J.Fan,
C.H.Chen,
Z.Chen,
D.N.Chin,
L.Dipietro,
A.Fazal,
Y.Feng,
P.D.Fortin,
T.Gould,
B.Lagu,
H.Lei,
F.Lenoir,
D.Majumdar,
E.Ochala,
M.G.Palermo,
L.Pham,
M.Pu,
T.Smith,
T.Stams,
R.C.Tomlinson,
B.B.Toure,
M.Visser,
R.M.Wang,
N.J.Waters,
W.Shao.
Identification of Nvp-TNKS656: the Use of Structure-Efficiency Relationships to Generate A Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem. V. 56 6495 2013.
Page generated: Mon Oct 7 16:47:57 2024
ISSN: ISSN 0022-2623 PubMed: 23844574 DOI: 10.1021/JM400807N |
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