sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.930 Å
X-ray
2013-02-04
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.410 | 7.410 | 7.410 | 0.000 | 7.410 | 1 |
| 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 | 100 % |
| B-Factor: | 21.605 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.926 | 354.375 |
| % Hydrophobic | % Polar |
|---|---|
| 51.43 | 48.57 |
| According to VolSite | |
| HET Code: | AJ6 |
|---|---|
| Formula: | C16H13ClN2O |
| Molecular weight: | 284.740 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.32 % |
| Polar Surface area: | 55.12 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -11.9589 | 2.9153 | 10.2067 |
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 |
| O5 | N | GLY- 1032 | 2.95 | 169.07 | H-Bond (Protein Donor) |
| N6 | O | GLY- 1032 | 2.82 | 149.1 | H-Bond (Ligand Donor) |
| C12 | CB | TYR- 1050 | 3.89 | 0 | Hydrophobic |
| C20 | CD2 | TYR- 1050 | 3.48 | 0 | Hydrophobic |
| C19 | CB | TYR- 1050 | 3.71 | 0 | Hydrophobic |
| C1 | CB | TYR- 1060 | 3.5 | 0 | Hydrophobic |
| C21 | CB | TYR- 1060 | 3.67 | 0 | Hydrophobic |
| O5 | OG | SER- 1068 | 2.79 | 155.82 | H-Bond (Protein Donor) |
| C1 | CE1 | TYR- 1071 | 3.71 | 0 | Hydrophobic |
| CL | CB | TYR- 1071 | 3.68 | 0 | Hydrophobic |
| C8 | CB | TYR- 1071 | 3.67 | 0 | Hydrophobic |
| DuAr | DuAr | TYR- 1071 | 3.86 | 0 | Aromatic Face/Face |
| C19 | CD1 | ILE- 1075 | 3.76 | 0 | Hydrophobic |
| C12 | CD1 | ILE- 1075 | 3.87 | 0 | Hydrophobic |
| C17 | CD1 | ILE- 1075 | 3.53 | 0 | Hydrophobic |
