sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.650 Å
X-ray
2006-03-29
| 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: | 22.553 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 36 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.376 | 2241.000 |
| % Hydrophobic | % Polar |
|---|---|
| 34.79 | 65.21 |
| According to VolSite | |
| HET Code: | NN2 |
|---|---|
| Formula: | C21H17FN3O4S |
| Molecular weight: | 426.441 g/mol |
| DrugBank ID: | DB08278 |
| Buried Surface Area: | 59.55 % |
| Polar Surface area: | 110.28 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -33.3211 | 8.47567 | -10.2918 |
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 |
| C29 | CG | PRO- 197 | 4.3 | 0 | Hydrophobic |
| C29 | CD | ARG- 200 | 3.69 | 0 | Hydrophobic |
| C6 | CB | ASN- 316 | 4.05 | 0 | Hydrophobic |
| C7 | CB | ASP- 319 | 4.13 | 0 | Hydrophobic |
| C6 | SG | CYS- 366 | 4.14 | 0 | Hydrophobic |
| C24 | CB | CYS- 366 | 4.39 | 0 | Hydrophobic |
| C30 | CB | CYS- 366 | 3.93 | 0 | Hydrophobic |
| C26 | CD2 | LEU- 384 | 3.46 | 0 | Hydrophobic |
| C25 | CE | MET- 414 | 3.98 | 0 | Hydrophobic |
| C29 | CE | MET- 414 | 4.11 | 0 | Hydrophobic |
| C15 | CG | MET- 414 | 3.59 | 0 | Hydrophobic |
| C18 | CE | MET- 414 | 4.12 | 0 | Hydrophobic |
| C16 | CB | MET- 414 | 3.34 | 0 | Hydrophobic |
| C17 | CE2 | TYR- 415 | 3.49 | 0 | Hydrophobic |
| C24 | CZ | TYR- 415 | 4.1 | 0 | Hydrophobic |
| O23 | N | TYR- 448 | 3.21 | 136.85 | H-Bond (Protein Donor) |
| C30 | CE1 | TYR- 448 | 3.78 | 0 | Hydrophobic |
| C9 | CB | SER- 556 | 4.14 | 0 | Hydrophobic |
