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
2008-05-07
| Name: | Genome polyprotein |
|---|---|
| ID: | POLG_HCVBK |
| AC: | P26663 |
| Organism: | Hepatitis C virus genotype 1b |
| Reign: | Viruses |
| TaxID: | 11105 |
| EC Number: | 2.7.7.48 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 53.723 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.034 | 1377.000 |
| % Hydrophobic | % Polar |
|---|---|
| 31.62 | 68.38 |
| According to VolSite | |
| HET Code: | B34 |
|---|---|
| Formula: | C21H19N2O4S |
| Molecular weight: | 395.452 g/mol |
| DrugBank ID: | DB07414 |
| Buried Surface Area: | 60.22 % |
| Polar Surface area: | 98.25 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 50.8941 | -8.63436 | 50.5979 |
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 |
| C1 | CB | PRO- 197 | 3.55 | 0 | Hydrophobic |
| C4 | CD | ARG- 200 | 3.71 | 0 | Hydrophobic |
| C2 | CB | ASN- 316 | 3.84 | 0 | Hydrophobic |
| C2 | CB | ASP- 319 | 4.04 | 0 | Hydrophobic |
| C8 | CB | CYS- 366 | 4.1 | 0 | Hydrophobic |
| C6 | SG | CYS- 366 | 3.65 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 384 | 3.51 | 0 | Hydrophobic |
| C19 | CG | MET- 414 | 3.48 | 0 | Hydrophobic |
| C7 | CB | MET- 414 | 3.96 | 0 | Hydrophobic |
| C4 | CE | MET- 414 | 4.23 | 0 | Hydrophobic |
| O27 | N | TYR- 448 | 2.82 | 156.94 | H-Bond (Protein Donor) |
| O26 | OG | SER- 556 | 3.18 | 121.3 | H-Bond (Protein Donor) |
| O25 | OG | SER- 556 | 3.25 | 164.49 | H-Bond (Protein Donor) |
