sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2012-03-21
| Name: | POL polyprotein |
|---|---|
| ID: | Q72498_9HIV1 |
| AC: | Q72498 |
| Organism: | Human immunodeficiency virus 1 |
| Reign: | Viruses |
| TaxID: | 11676 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 64 % |
| B | 36 % |
| B-Factor: | 28.133 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.703 | 303.750 |
| % Hydrophobic | % Polar |
|---|---|
| 60.00 | 40.00 |
| According to VolSite | |
| HET Code: | MOK |
|---|---|
| Formula: | C11H8NO3 |
| Molecular weight: | 202.186 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 56.99 % |
| Polar Surface area: | 66.16 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 6.79753 | 21.1165 | 9.70267 |
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 |
| C11 | CB | PRO- 109 | 4.42 | 0 | Hydrophobic |
| C10 | CG | PRO- 109 | 4.24 | 0 | Hydrophobic |
| O5 | OG | SER- 195 | 2.57 | 165.36 | H-Bond (Protein Donor) |
| C1 | CG | GLU- 198 | 4.36 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 201 | 4.07 | 0 | Hydrophobic |
| C15 | CG2 | ILE- 204 | 4.3 | 0 | Hydrophobic |
