sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
2015-03-05
| 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 |
|---|---|
| A | 100 % |
| B-Factor: | 26.198 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.791 | 340.875 |
| % Hydrophobic | % Polar |
|---|---|
| 58.42 | 41.58 |
| According to VolSite | |
| HET Code: | 29F |
|---|---|
| Formula: | C18H18N2O |
| Molecular weight: | 278.348 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 75.34 % |
| Polar Surface area: | 41.46 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -54.3 | -42.9495 | 17.8674 |
Image generated by PoseView
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 |
| N | O | GLY- 1032 | 2.9 | 152.68 | H-Bond (Ligand Donor) |
| O | N | GLY- 1032 | 2.88 | 173.13 | H-Bond (Protein Donor) |
| C9 | CB | SER- 1033 | 3.91 | 0 | Hydrophobic |
| C | CG | PRO- 1034 | 4.15 | 0 | Hydrophobic |
| C3 | CE2 | PHE- 1035 | 3.6 | 0 | Hydrophobic |
| C6 | CB | TYR- 1050 | 3.64 | 0 | Hydrophobic |
| C16 | CB | TYR- 1060 | 3.37 | 0 | Hydrophobic |
| C14 | CB | ALA- 1062 | 3.66 | 0 | Hydrophobic |
| C14 | CG | LYS- 1067 | 3.59 | 0 | Hydrophobic |
| O | OG | SER- 1068 | 2.9 | 155.99 | H-Bond (Protein Donor) |
| C7 | CB | TYR- 1071 | 4.01 | 0 | Hydrophobic |
| C2 | CD1 | ILE- 1075 | 3.79 | 0 | Hydrophobic |
| C5 | CG1 | ILE- 1075 | 4.04 | 0 | Hydrophobic |
| C14 | CG | GLU- 1138 | 3.97 | 0 | Hydrophobic |
