sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2006-08-30
| 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: | 46.345 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.181 | 283.500 |
| % Hydrophobic | % Polar |
|---|---|
| 72.62 | 27.38 |
| According to VolSite | |
| HET Code: | JTP |
|---|---|
| Formula: | C27H29N2O4 |
| Molecular weight: | 445.530 g/mol |
| DrugBank ID: | DB08031 |
| Buried Surface Area: | 48.05 % |
| Polar Surface area: | 83.39 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 5 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 55.1077 | -16.0397 | 5.87685 |
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 |
| C15 | CG2 | VAL- 37 | 3.52 | 0 | Hydrophobic |
| C16 | CB | LEU- 392 | 4.15 | 0 | Hydrophobic |
| C26 | CD2 | LEU- 392 | 3.65 | 0 | Hydrophobic |
| C15 | CB | ALA- 393 | 4.36 | 0 | Hydrophobic |
| C24 | CB | ALA- 395 | 3.47 | 0 | Hydrophobic |
| C23 | CB | ALA- 396 | 3.9 | 0 | Hydrophobic |
| C12 | CB | ALA- 396 | 3.58 | 0 | Hydrophobic |
| C26 | CG2 | ILE- 424 | 3.86 | 0 | Hydrophobic |
| C25 | CD2 | LEU- 425 | 3.86 | 0 | Hydrophobic |
| C25 | CB | HIS- 428 | 4.32 | 0 | Hydrophobic |
| C24 | CZ | PHE- 429 | 4.02 | 0 | Hydrophobic |
| C25 | CE2 | PHE- 429 | 3.74 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 492 | 4.23 | 0 | Hydrophobic |
| C16 | CD1 | LEU- 492 | 3.83 | 0 | Hydrophobic |
| C8 | CG1 | VAL- 494 | 4.22 | 0 | Hydrophobic |
| C9 | CG2 | VAL- 494 | 4.15 | 0 | Hydrophobic |
| C20 | CG2 | VAL- 494 | 3.96 | 0 | Hydrophobic |
| C27 | CG1 | VAL- 494 | 4.36 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 494 | 3.58 | 0 | Hydrophobic |
| C1 | CG | PRO- 495 | 3.92 | 0 | Hydrophobic |
| C5 | CG | PRO- 495 | 3.9 | 0 | Hydrophobic |
| O29 | NH1 | ARG- 503 | 2.61 | 142.62 | H-Bond (Protein Donor) |
| O29 | NH2 | ARG- 503 | 2.73 | 136.51 | H-Bond (Protein Donor) |
| O31 | NH2 | ARG- 503 | 3.19 | 133.6 | H-Bond (Protein Donor) |
