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
2012-10-15
| 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 | 93 % |
| C | 7 % |
| B-Factor: | 29.306 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.698 | 637.875 |
| % Hydrophobic | % Polar |
|---|---|
| 51.32 | 48.68 |
| According to VolSite | |
| HET Code: | LU2 |
|---|---|
| Formula: | C15H9O6 |
| Molecular weight: | 285.228 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 71.5 % |
| Polar Surface area: | 110.05 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 3.40362 | -11.9021 | -11.8516 |
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 |
| O3 | N | GLY- 1032 | 2.99 | 171.14 | H-Bond (Protein Donor) |
| C11 | CB | SER- 1033 | 3.96 | 0 | Hydrophobic |
| C15 | CB | TYR- 1050 | 3.71 | 0 | Hydrophobic |
| C1 | CB | TYR- 1060 | 3.46 | 0 | Hydrophobic |
| C4 | CB | ALA- 1062 | 4.32 | 0 | Hydrophobic |
| C2 | CD | LYS- 1067 | 4.32 | 0 | Hydrophobic |
| C3 | CG | LYS- 1067 | 3.76 | 0 | Hydrophobic |
| C5 | CB | TYR- 1071 | 4.43 | 0 | Hydrophobic |
| C10 | CB | TYR- 1071 | 4.28 | 0 | Hydrophobic |
| DuAr | DuAr | TYR- 1071 | 3.91 | 0 | Aromatic Face/Face |
| DuAr | DuAr | TYR- 1071 | 3.91 | 0 | Aromatic Face/Face |
| C14 | CG1 | ILE- 1075 | 3.8 | 0 | Hydrophobic |
| O5 | O | HOH- 1347 | 2.77 | 165.22 | H-Bond (Ligand Donor) |
