sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2011-10-20
| 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: | 22.490 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.258 | 617.625 |
| % Hydrophobic | % Polar |
|---|---|
| 55.74 | 44.26 |
| According to VolSite | |
| HET Code: | 09L |
|---|---|
| Formula: | C24H23FN4O3 |
| Molecular weight: | 434.463 g/mol |
| DrugBank ID: | DB09074 |
| Buried Surface Area: | 75.19 % |
| Polar Surface area: | 82.08 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 9.34806 | 1.47784 | 19.1429 |
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 |
| OAD | N | GLY- 1032 | 2.86 | 171.02 | H-Bond (Protein Donor) |
| NAH | O | GLY- 1032 | 2.65 | 147.36 | H-Bond (Ligand Donor) |
| CAK | CB | PHE- 1035 | 3.75 | 0 | Hydrophobic |
| CAJ | CB | ALA- 1038 | 4.06 | 0 | Hydrophobic |
| CAI | CG1 | ILE- 1039 | 3.63 | 0 | Hydrophobic |
| OAB | N | ASP- 1045 | 2.8 | 150.53 | H-Bond (Protein Donor) |
| CAK | CB | HIS- 1048 | 3.9 | 0 | Hydrophobic |
| CAV | CD1 | TYR- 1050 | 3.39 | 0 | Hydrophobic |
| CAW | CG | TYR- 1050 | 3.36 | 0 | Hydrophobic |
| CAW | CB | TYR- 1050 | 3.5 | 0 | Hydrophobic |
| OAC | N | TYR- 1060 | 3.19 | 154.53 | H-Bond (Protein Donor) |
| CAS | CB | TYR- 1060 | 4.11 | 0 | Hydrophobic |
| CAV | CB | TYR- 1060 | 4.03 | 0 | Hydrophobic |
| CBB | CB | TYR- 1060 | 3.28 | 0 | Hydrophobic |
| CBD | CB | ALA- 1062 | 3.64 | 0 | Hydrophobic |
| CBE | CD | LYS- 1067 | 4.47 | 0 | Hydrophobic |
| CBF | CG | LYS- 1067 | 3.79 | 0 | Hydrophobic |
| OAD | OG | SER- 1068 | 2.79 | 163.41 | H-Bond (Protein Donor) |
| CAV | CD1 | TYR- 1071 | 3.52 | 0 | Hydrophobic |
| CAW | CD1 | ILE- 1075 | 3.4 | 0 | Hydrophobic |
| CBF | CG | GLU- 1138 | 3.81 | 0 | Hydrophobic |
