sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2013-05-30
| 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 | 92 % |
| C | 8 % |
| B-Factor: | 20.916 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.936 | 324.000 |
| % Hydrophobic | % Polar |
|---|---|
| 60.42 | 39.58 |
| According to VolSite | |
| HET Code: | 20D |
|---|---|
| Formula: | C15H9FO2 |
| Molecular weight: | 240.229 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 77.32 % |
| Polar Surface area: | 26.3 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -6.47561 | -37.1894 | 12.2184 |
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 |
| OAK | N | GLY- 1032 | 2.98 | 166.19 | H-Bond (Protein Donor) |
| CAQ | CB | SER- 1033 | 4.23 | 0 | Hydrophobic |
| FAR | CE2 | PHE- 1035 | 3.97 | 0 | Hydrophobic |
| CAM | CB | TYR- 1050 | 3.61 | 0 | Hydrophobic |
| CAD | CB | TYR- 1060 | 3.45 | 0 | Hydrophobic |
| CAA | CB | ALA- 1062 | 3.74 | 0 | Hydrophobic |
| CAC | CD | LYS- 1067 | 4.04 | 0 | Hydrophobic |
| CAB | CG | LYS- 1067 | 3.55 | 0 | Hydrophobic |
| OAK | OG | SER- 1068 | 2.85 | 150 | H-Bond (Protein Donor) |
| CAM | CD1 | TYR- 1071 | 3.48 | 0 | Hydrophobic |
| CAL | CB | TYR- 1071 | 3.94 | 0 | Hydrophobic |
| FAR | CD1 | ILE- 1075 | 4.23 | 0 | Hydrophobic |
| CAN | CG1 | ILE- 1075 | 3.83 | 0 | Hydrophobic |
| CAB | CG | GLU- 1138 | 4.25 | 0 | Hydrophobic |
