1.950 Å
X-ray
2013-06-20
Name: | Tankyrase-2 |
---|---|
ID: | TNKS2_HUMAN |
AC: | Q9H2K2 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.4.2.30 |
Chain Name: | Percentage of Residues within binding site |
---|---|
C | 100 % |
B-Factor: | 19.740 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.577 | 594.000 |
% Hydrophobic | % Polar |
---|---|
45.45 | 54.55 |
According to VolSite |
HET Code: | W2E |
---|---|
Formula: | C16H12N2O3 |
Molecular weight: | 280.278 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 76.96 % |
Polar Surface area: | 67.76 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 1 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
-9.16176 | -42.9021 | 18.0119 |
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
Ligand | Protein | Interaction | |||
---|---|---|---|---|---|
Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
N1 | O | GLY- 1032 | 2.85 | 149.11 | H-Bond (Ligand Donor) |
OAN | N | GLY- 1032 | 2.85 | 171.78 | H-Bond (Protein Donor) |
CAI | CB | SER- 1033 | 3.91 | 0 | Hydrophobic |
CAA | CE2 | PHE- 1035 | 3.24 | 0 | Hydrophobic |
CAF | CB | TYR- 1050 | 3.46 | 0 | Hydrophobic |
CAS | CB | TYR- 1060 | 3.3 | 0 | Hydrophobic |
CAP | CB | ALA- 1062 | 3.7 | 0 | Hydrophobic |
CAQ | CG | LYS- 1067 | 3.49 | 0 | Hydrophobic |
OAN | OG | SER- 1068 | 2.77 | 167.69 | H-Bond (Protein Donor) |
CAG | CD1 | TYR- 1071 | 3.39 | 0 | Hydrophobic |
CAH | CB | TYR- 1071 | 3.88 | 0 | Hydrophobic |
CAF | CG1 | ILE- 1075 | 3.69 | 0 | Hydrophobic |
CAQ | CG | GLU- 1138 | 4 | 0 | Hydrophobic |
OAD | O | HOH- 3101 | 2.78 | 125.92 | H-Bond (Protein Donor) |