sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.390 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 |
|---|---|
| D | 100 % |
| B-Factor: | 46.432 |
|---|---|
| Number of residues: | 18 |
| Including | |
| Standard Amino Acids: | 15 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | MN MN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.681 | 965.250 |
| % Hydrophobic | % Polar |
|---|---|
| 43.01 | 56.99 |
| According to VolSite | |
| HET Code: | 0N7 |
|---|---|
| Formula: | C9H7NO3 |
| Molecular weight: | 177.157 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 35.63 % |
| Polar Surface area: | 57.61 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| -49.1056 | -16.6598 | 26.6666 |
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 |
| O13 | NZ | LYS- 134 | 3.17 | 154.93 | H-Bond (Protein Donor) |
| O13 | MN | MN- 303 | 2.44 | 0 | Metal Acceptor |
| O12 | MN | MN- 303 | 2.49 | 0 | Metal Acceptor |
| O12 | MN | MN- 304 | 2.24 | 0 | Metal Acceptor |
| O11 | MN | MN- 304 | 2.67 | 0 | Metal Acceptor |
| O13 | O | HOH- 401 | 3.03 | 171.46 | H-Bond (Protein Donor) |
