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
2012-12-18
| 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 |
|---|---|
| A | 100 % |
| B-Factor: | 19.094 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.352 | 2298.375 |
| % Hydrophobic | % Polar |
|---|---|
| 35.24 | 64.76 |
| According to VolSite | |
| HET Code: | 1EP |
|---|---|
| Formula: | C17H24N2O2 |
| Molecular weight: | 288.385 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 59.53 % |
| Polar Surface area: | 49.41 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -18.3852 | -9.76938 | -62.1689 |
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 |
| C20 | CB | PRO- 197 | 4.03 | 0 | Hydrophobic |
| C21 | CB | PRO- 197 | 4.19 | 0 | Hydrophobic |
| C19 | CD | ARG- 200 | 3.51 | 0 | Hydrophobic |
| C19 | CB | CYS- 366 | 3.96 | 0 | Hydrophobic |
| C14 | CB | CYS- 366 | 3.73 | 0 | Hydrophobic |
| C19 | CB | SER- 368 | 3.77 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 384 | 3.81 | 0 | Hydrophobic |
| C9 | CB | SER- 407 | 4.38 | 0 | Hydrophobic |
| C10 | CG | MET- 414 | 3.83 | 0 | Hydrophobic |
| C16 | CE | MET- 414 | 3.69 | 0 | Hydrophobic |
| C21 | CE | MET- 414 | 3.85 | 0 | Hydrophobic |
| C10 | CE2 | TYR- 415 | 4.19 | 0 | Hydrophobic |
| C20 | CE1 | TYR- 415 | 3.66 | 0 | Hydrophobic |
| N4 | O | GLN- 446 | 2.7 | 151 | H-Bond (Ligand Donor) |
| O3 | N | TYR- 448 | 2.7 | 163.87 | H-Bond (Protein Donor) |
| C21 | CE1 | TYR- 448 | 4.24 | 0 | Hydrophobic |
