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
2013-06-05
| 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 | 89 % |
| D | 11 % |
| B-Factor: | 23.603 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.661 | 610.875 |
| % Hydrophobic | % Polar |
|---|---|
| 47.51 | 52.49 |
| According to VolSite | |
| HET Code: | F08 |
|---|---|
| Formula: | C17H12O4 |
| Molecular weight: | 280.275 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 72.24 % |
| Polar Surface area: | 52.6 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 9.30543 | -42.92 | -18.0043 |
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 |
| OAN | N | GLY- 1032 | 3.06 | 161.69 | H-Bond (Protein Donor) |
| CAG | CB | SER- 1033 | 4.01 | 0 | Hydrophobic |
| CAJ | CB | TYR- 1050 | 3.29 | 0 | Hydrophobic |
| CAS | CD1 | TYR- 1060 | 3.42 | 0 | Hydrophobic |
| CAS | CB | TYR- 1060 | 3.38 | 0 | Hydrophobic |
| CAP | CB | ALA- 1062 | 3.63 | 0 | Hydrophobic |
| CAQ | CG | LYS- 1067 | 3.48 | 0 | Hydrophobic |
| OAN | OG | SER- 1068 | 2.89 | 160 | H-Bond (Protein Donor) |
| CAH | CB | TYR- 1071 | 3.92 | 0 | Hydrophobic |
| CAA | CD1 | ILE- 1075 | 4.14 | 0 | Hydrophobic |
| CAJ | CG1 | ILE- 1075 | 4.34 | 0 | Hydrophobic |
| CAQ | CG | GLU- 1138 | 3.8 | 0 | Hydrophobic |
