sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2011-06-14
| Name: | Polyprotein |
|---|---|
| ID: | Q80J95_9CALI |
| AC: | Q80J95 |
| Organism: | Murine norovirus 1 |
| Reign: | Viruses |
| TaxID: | 223997 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| C | 100 % |
| B-Factor: | 26.610 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.236 | 877.500 |
| % Hydrophobic | % Polar |
|---|---|
| 34.23 | 65.77 |
| According to VolSite | |
| HET Code: | RBV |
|---|---|
| Formula: | C8H12N4O5 |
| Molecular weight: | 244.205 g/mol |
| DrugBank ID: | DB00811 |
| Buried Surface Area: | 52.76 % |
| Polar Surface area: | 143.72 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 4 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -82.6215 | 47.3925 | -14.0416 |
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 |
| O2' | OD1 | ASP- 250 | 3.45 | 140.03 | H-Bond (Ligand Donor) |
| C2' | CD2 | LEU- 301 | 3.94 | 0 | Hydrophobic |
| C3' | CB | THR- 309 | 3.86 | 0 | Hydrophobic |
| C3' | CB | ASN- 312 | 4.02 | 0 | Hydrophobic |
| O5' | OD1 | ASP- 346 | 3.44 | 133.57 | H-Bond (Ligand Donor) |
