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 |
|---|---|
| B | 93 % |
| D | 7 % |
| B-Factor: | 19.834 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.798 | 661.500 |
| % Hydrophobic | % Polar |
|---|---|
| 48.98 | 51.02 |
| According to VolSite | |
| HET Code: | 431 |
|---|---|
| Formula: | C16H12O2 |
| Molecular weight: | 236.265 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 75.57 % |
| Polar Surface area: | 26.3 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -56.6857 | -41.8246 | 17.0702 |
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 |
| OAH | N | GLY- 1032 | 2.99 | 161.95 | H-Bond (Protein Donor) |
| CAJ | CB | SER- 1033 | 4.05 | 0 | Hydrophobic |
| CAP | CE2 | PHE- 1035 | 3.94 | 0 | Hydrophobic |
| CAK | CB | TYR- 1050 | 3.44 | 0 | Hydrophobic |
| CAO | CB | TYR- 1060 | 3.47 | 0 | Hydrophobic |
| CAN | CB | ALA- 1062 | 3.81 | 0 | Hydrophobic |
| CAQ | CG | LYS- 1067 | 3.51 | 0 | Hydrophobic |
| OAH | OG | SER- 1068 | 2.81 | 166.16 | H-Bond (Protein Donor) |
| CAI | CD1 | TYR- 1071 | 3.35 | 0 | Hydrophobic |
| CAO | CE2 | TYR- 1071 | 3.45 | 0 | Hydrophobic |
| CAG | CB | TYR- 1071 | 3.86 | 0 | Hydrophobic |
| CAK | CG1 | ILE- 1075 | 3.86 | 0 | Hydrophobic |
| CAP | CD1 | ILE- 1075 | 4.5 | 0 | Hydrophobic |
| CAQ | CB | GLU- 1138 | 4.26 | 0 | Hydrophobic |
