sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.150 Å
X-ray
2012-05-29
| 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 |
|---|---|
| B | 100 % |
| B-Factor: | 17.268 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.989 | 347.625 |
| % Hydrophobic | % Polar |
|---|---|
| 57.28 | 42.72 |
| According to VolSite | |
| HET Code: | G18 |
|---|---|
| Formula: | C11H7NOS |
| Molecular weight: | 201.244 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 74.24 % |
| Polar Surface area: | 57.34 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| -55.4162 | -42.9268 | 16.0979 |
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 |
| NAC | O | GLY- 1032 | 2.63 | 135.37 | H-Bond (Ligand Donor) |
| OAB | N | GLY- 1032 | 2.88 | 168.85 | H-Bond (Protein Donor) |
| SAK | CB | SER- 1033 | 4.49 | 0 | Hydrophobic |
| CAL | CB | TYR- 1060 | 3.34 | 0 | Hydrophobic |
| CAH | CB | ALA- 1062 | 3.99 | 0 | Hydrophobic |
| CAF | CD | LYS- 1067 | 4.41 | 0 | Hydrophobic |
| CAD | CG | LYS- 1067 | 3.63 | 0 | Hydrophobic |
| OAB | OG | SER- 1068 | 2.7 | 163.09 | H-Bond (Protein Donor) |
| SAK | CB | TYR- 1071 | 4.1 | 0 | Hydrophobic |
| DuAr | DuAr | TYR- 1071 | 4 | 0 | Aromatic Face/Face |
| DuAr | DuAr | TYR- 1071 | 3.9 | 0 | Aromatic Face/Face |
| DuAr | DuAr | TYR- 1071 | 3.9 | 0 | Aromatic Face/Face |
| CAD | CG | GLU- 1138 | 4.49 | 0 | Hydrophobic |
