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
2012-10-17
| 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: | 22.348 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.384 | 610.875 |
| % Hydrophobic | % Polar |
|---|---|
| 47.51 | 52.49 |
| According to VolSite | |
| HET Code: | 20B |
|---|---|
| Formula: | C15H10O3 |
| Molecular weight: | 238.238 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 75.67 % |
| Polar Surface area: | 46.53 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -6.69156 | -36.5029 | 12.0408 |
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 |
| OAQ | N | GLY- 1032 | 2.8 | 161.93 | H-Bond (Protein Donor) |
| CAM | CB | SER- 1033 | 3.91 | 0 | Hydrophobic |
| CAO | CB | TYR- 1050 | 3.62 | 0 | Hydrophobic |
| CAA | CB | TYR- 1060 | 3.39 | 0 | Hydrophobic |
| CAC | CB | ALA- 1062 | 3.84 | 0 | Hydrophobic |
| CAB | CD | LYS- 1067 | 4.13 | 0 | Hydrophobic |
| CAC | CG | LYS- 1067 | 3.61 | 0 | Hydrophobic |
| OAQ | OG | SER- 1068 | 2.84 | 158.58 | H-Bond (Protein Donor) |
| CAK | CB | TYR- 1071 | 4.17 | 0 | Hydrophobic |
| CAN | CD1 | TYR- 1071 | 3.47 | 0 | Hydrophobic |
| CAO | CG1 | ILE- 1075 | 3.87 | 0 | Hydrophobic |
| CAC | CG | GLU- 1138 | 4.45 | 0 | Hydrophobic |
| OAR | O | HOH- 1317 | 2.79 | 157.33 | H-Bond (Protein Donor) |
| OAR | O | HOH- 1374 | 2.69 | 138.42 | H-Bond (Ligand Donor) |
