sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.350 Å
X-ray
2012-03-14
| Name: | Polymerase acidic protein |
|---|---|
| ID: | Q5EP34_9INFA |
| AC: | Q5EP34 |
| Organism: | Influenza A virus ) |
| Reign: | Viruses |
| TaxID: | 284218 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 45.478 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 3 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | MN MN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.979 | 1174.500 |
| % Hydrophobic | % Polar |
|---|---|
| 40.80 | 59.20 |
| According to VolSite | |
| HET Code: | 581 |
|---|---|
| Formula: | C13H9N3O5 |
| Molecular weight: | 287.228 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 37.83 % |
| Polar Surface area: | 133.75 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -60.1821 | -14.4245 | -14.9623 |
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 |
| C13 | CB | ALA- 37 | 4.02 | 0 | Hydrophobic |
| C6 | CG1 | ILE- 38 | 3.77 | 0 | Hydrophobic |
| C2 | CB | HIS- 41 | 4.03 | 0 | Hydrophobic |
| O3 | NH2 | ARG- 124 | 2.75 | 175.1 | H-Bond (Protein Donor) |
| O3 | CZ | ARG- 124 | 3.61 | 0 | Ionic (Protein Cationic) |
