sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.770 Å
X-ray
2011-10-10
| Name: | Genome polyprotein |
|---|---|
| ID: | POLG_HCVJ4 |
| AC: | O92972 |
| Organism: | Hepatitis C virus genotype 1b |
| Reign: | Viruses |
| TaxID: | 420174 |
| EC Number: | 2.7.7.48 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 28.216 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.914 | 1329.750 |
| % Hydrophobic | % Polar |
|---|---|
| 33.25 | 66.75 |
| According to VolSite | |
| HET Code: | 08E |
|---|---|
| Formula: | C20H14ClN4O3 |
| Molecular weight: | 393.803 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 59.03 % |
| Polar Surface area: | 113.07 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 23.5498 | 0.210214 | 2.44579 |
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 |
| C12 | CE1 | PHE- 193 | 4.04 | 0 | Hydrophobic |
| CL2 | CB | PRO- 197 | 4.32 | 0 | Hydrophobic |
| C9 | CD | ARG- 200 | 3.98 | 0 | Hydrophobic |
| C21 | CB | ASN- 316 | 3.49 | 0 | Hydrophobic |
| C25 | CB | CYS- 366 | 3.43 | 0 | Hydrophobic |
| C20 | SG | CYS- 366 | 3.5 | 0 | Hydrophobic |
| C10 | CB | CYS- 366 | 3.6 | 0 | Hydrophobic |
| C9 | CD1 | LEU- 384 | 4.38 | 0 | Hydrophobic |
| CL2 | CD1 | LEU- 384 | 3.77 | 0 | Hydrophobic |
| C2 | CE | MET- 414 | 3.72 | 0 | Hydrophobic |
| CL2 | CE1 | TYR- 415 | 3.49 | 0 | Hydrophobic |
| N16 | O | GLN- 446 | 2.91 | 168.52 | H-Bond (Ligand Donor) |
| C12 | CE1 | TYR- 448 | 3.72 | 0 | Hydrophobic |
| O28 | N | TYR- 448 | 2.78 | 174.26 | H-Bond (Protein Donor) |
