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
2012-08-16
| Name: | Genome polyprotein |
|---|---|
| ID: | POLG_HCVBK |
| AC: | P26663 |
| Organism: | Hepatitis C virus genotype 1b |
| Reign: | Viruses |
| TaxID: | 11105 |
| EC Number: | 3.4.21.98 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 40.853 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.626 | 702.000 |
| % Hydrophobic | % Polar |
|---|---|
| 32.21 | 67.79 |
| According to VolSite | |
| HET Code: | DJL |
|---|---|
| Formula: | C15H16ClFNO |
| Molecular weight: | 280.745 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 63.7 % |
| Polar Surface area: | 36.87 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 43.9419 | 6.27226 | -39.817 |
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 |
| CL1 | CD2 | TYR- 56 | 4.22 | 0 | Hydrophobic |
| CL1 | CB | HIS- 57 | 3.71 | 0 | Hydrophobic |
| CL1 | CB | ASP- 81 | 4.41 | 0 | Hydrophobic |
| C22 | CB | ASP- 81 | 4.39 | 0 | Hydrophobic |
| C10 | CB | ASP- 81 | 3.7 | 0 | Hydrophobic |
| C22 | CD | ARG- 155 | 4.29 | 0 | Hydrophobic |
| C6 | CG | MET- 485 | 3.95 | 0 | Hydrophobic |
| CL1 | SD | MET- 485 | 3.39 | 0 | Hydrophobic |
| C1 | CB | MET- 485 | 3.61 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 524 | 4.44 | 0 | Hydrophobic |
| C11 | CB | VAL- 524 | 3.89 | 0 | Hydrophobic |
| C10 | CG2 | VAL- 524 | 3.47 | 0 | Hydrophobic |
| N20 | O | CYS- 525 | 2.74 | 154.63 | H-Bond (Ligand Donor) |
| F23 | CG | GLN- 526 | 3.82 | 0 | Hydrophobic |
| C4 | CG | GLN- 526 | 3.58 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 630 | 4.49 | 0 | Hydrophobic |
| C4 | CG1 | VAL- 630 | 3.63 | 0 | Hydrophobic |
