sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2013-06-01
| 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: | 19.047 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.287 | 617.625 |
| % Hydrophobic | % Polar |
|---|---|
| 46.45 | 53.55 |
| According to VolSite | |
| HET Code: | 1V0 |
|---|---|
| Formula: | C15H9NO4 |
| Molecular weight: | 267.236 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 74.68 % |
| Polar Surface area: | 72.12 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 6.5259 | 37.3154 | 11.6545 |
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 |
| OAL | N | GLY- 1032 | 2.96 | 164.96 | H-Bond (Protein Donor) |
| CAO | CB | SER- 1033 | 4.26 | 0 | Hydrophobic |
| CAN | CB | TYR- 1050 | 3.6 | 0 | Hydrophobic |
| CAR | CB | TYR- 1060 | 3.46 | 0 | Hydrophobic |
| CAQ | CB | ALA- 1062 | 3.66 | 0 | Hydrophobic |
| CAT | CD | LYS- 1067 | 4.05 | 0 | Hydrophobic |
| CAS | CG | LYS- 1067 | 3.51 | 0 | Hydrophobic |
| OAL | OG | SER- 1068 | 2.71 | 154.68 | H-Bond (Protein Donor) |
| CAP | CD1 | TYR- 1071 | 3.37 | 0 | Hydrophobic |
| CAI | CB | TYR- 1071 | 3.87 | 0 | Hydrophobic |
| CAR | CE2 | TYR- 1071 | 3.48 | 0 | Hydrophobic |
| CAN | CG1 | ILE- 1075 | 3.86 | 0 | Hydrophobic |
| CAS | CG | GLU- 1138 | 4.2 | 0 | Hydrophobic |
