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-Methoxybenzamide
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
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;
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:
| Resolution Low / High (Å) | 43.70 / 2.20 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 124.400, 44.000, 87.400, 90.00, 90.40, 90.00 |
| R / Rfree (%) | n/a / n/a |
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:
| Fluorine | (F) | 2 atoms |
| Chlorine | (Cl) | 2 atoms |
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;
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 4li7
Go 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
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide within 5.0Å range:
|
Sodium binding site 2 out of 2 in 4li7
Go 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
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Tankyrase-1 Complexed with Small Molecule Inhibitor 4-Chloro-5-Cyano- N-{2-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Ethyl}-2-Methoxybenzamide within 5.0Å range:
|
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.
ISSN: ISSN 0022-2623
PubMed: 23844574
DOI: 10.1021/JM400807N
Page generated: Tue Dec 15 06:51:55 2020
ISSN: ISSN 0022-2623
PubMed: 23844574
DOI: 10.1021/JM400807N
Last articles
Zn in 8WB0Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
