sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.050 Å
X-ray
2013-05-31
| 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: | 22.174 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.906 | 297.000 |
| % Hydrophobic | % Polar |
|---|---|
| 54.55 | 45.45 |
| According to VolSite | |
| HET Code: | 1UR |
|---|---|
| Formula: | C16H9O4 |
| Molecular weight: | 265.240 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 69.82 % |
| Polar Surface area: | 66.43 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -6.5126 | -37.3118 | 11.4615 |
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 |
| OAM | N | GLY- 1032 | 2.97 | 164.42 | H-Bond (Protein Donor) |
| CAF | CB | SER- 1033 | 4.25 | 0 | Hydrophobic |
| CAI | CB | TYR- 1050 | 3.64 | 0 | Hydrophobic |
| CAR | CB | TYR- 1060 | 3.42 | 0 | Hydrophobic |
| CAO | CB | ALA- 1062 | 3.71 | 0 | Hydrophobic |
| CAQ | CD | LYS- 1067 | 4.15 | 0 | Hydrophobic |
| CAP | CG | LYS- 1067 | 3.55 | 0 | Hydrophobic |
| OAM | OG | SER- 1068 | 2.77 | 156.19 | H-Bond (Protein Donor) |
| CAH | CD1 | TYR- 1071 | 3.4 | 0 | Hydrophobic |
| CAG | CB | TYR- 1071 | 3.96 | 0 | Hydrophobic |
| CAI | CG1 | ILE- 1075 | 3.88 | 0 | Hydrophobic |
| CAP | CG | GLU- 1138 | 4.2 | 0 | Hydrophobic |
| OAC | O | HOH- 1378 | 2.54 | 148.25 | H-Bond (Protein Donor) |
