sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.150 Å
X-ray
2015-10-26
| Name: | Quercetinase QueD |
|---|---|
| ID: | A2VA43_9ACTN |
| AC: | A2VA43 |
| Organism: | Streptomyces sp. FLA |
| Reign: | Bacteria |
| TaxID: | 375060 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| H | 100 % |
| B-Factor: | 24.295 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.230 | 567.000 |
| % Hydrophobic | % Polar |
|---|---|
| 66.67 | 33.33 |
| According to VolSite | |
| HET Code: | QUE |
|---|---|
| Formula: | C15H8O7 |
| Molecular weight: | 300.220 g/mol |
| DrugBank ID: | DB04216 |
| Buried Surface Area: | 79.51 % |
| Polar Surface area: | 133.11 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 20.1054 | -37.4686 | -14.1178 |
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 |
| C6 | CD2 | LEU- 35 | 3.37 | 0 | Hydrophobic |
| C16 | SG | CYS- 58 | 3.27 | 0 | Hydrophobic |
| C3 | CD1 | ILE- 66 | 4.33 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 66 | 3.89 | 0 | Hydrophobic |
| O24 | O | VAL- 77 | 3.12 | 169.62 | H-Bond (Ligand Donor) |
| C17 | CG1 | VAL- 126 | 4.28 | 0 | Hydrophobic |
| C2 | CE2 | PHE- 140 | 3.39 | 0 | Hydrophobic |
