sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.600 Å
X-ray
2013-06-24
| 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: | 19.416 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.860 | 698.625 |
| % Hydrophobic | % Polar |
|---|---|
| 51.69 | 48.31 |
| According to VolSite | |
| HET Code: | F38 |
|---|---|
| Formula: | C15H13N3O3S |
| Molecular weight: | 315.347 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 73.49 % |
| Polar Surface area: | 109.99 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -54.7306 | -43.0225 | 18.3657 |
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 |
| N1 | O | GLY- 1032 | 2.9 | 147.17 | H-Bond (Ligand Donor) |
| OAN | N | GLY- 1032 | 2.84 | 163.6 | H-Bond (Protein Donor) |
| CAJ | CB | SER- 1033 | 3.92 | 0 | Hydrophobic |
| CAG | CB | TYR- 1050 | 3.76 | 0 | Hydrophobic |
| CAS | CB | TYR- 1060 | 3.33 | 0 | Hydrophobic |
| CAP | CB | ALA- 1062 | 3.73 | 0 | Hydrophobic |
| CAQ | CG | LYS- 1067 | 3.65 | 0 | Hydrophobic |
| OAN | OG | SER- 1068 | 3.1 | 164.32 | H-Bond (Protein Donor) |
| CAG | CD1 | TYR- 1071 | 3.22 | 0 | Hydrophobic |
| CAH | CB | TYR- 1071 | 3.84 | 0 | Hydrophobic |
| CAF | CG1 | ILE- 1075 | 3.46 | 0 | Hydrophobic |
| CAF | CG1 | ILE- 1075 | 3.46 | 0 | Hydrophobic |
| CAQ | CG | GLU- 1138 | 4.1 | 0 | Hydrophobic |
