sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.430 Å
X-ray
2013-07-12
| Name: | Stimulator of interferon genes protein |
|---|---|
| ID: | STING_MOUSE |
| AC: | Q3TBT3 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 48 % |
| B | 52 % |
| B-Factor: | 48.498 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.846 | 590.625 |
| % Hydrophobic | % Polar |
|---|---|
| 39.43 | 60.57 |
| According to VolSite | |
| HET Code: | 1YE |
|---|---|
| Formula: | C17H13O4 |
| Molecular weight: | 281.283 g/mol |
| DrugBank ID: | DB06235 |
| Buried Surface Area: | 71.95 % |
| Polar Surface area: | 66.43 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 20.4542 | -28.9471 | -11.8043 |
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 |
| CAI | CD1 | LEU- 158 | 4.4 | 0 | Hydrophobic |
| CAF | CB | SER- 161 | 4.18 | 0 | Hydrophobic |
| CAI | CB | SER- 161 | 3.74 | 0 | Hydrophobic |
| CAF | CB | TYR- 162 | 4.27 | 0 | Hydrophobic |
| CAJ | CG2 | ILE- 164 | 4.05 | 0 | Hydrophobic |
| CAK | CB | TYR- 166 | 4.13 | 0 | Hydrophobic |
| CAA | CD1 | LEU- 169 | 4.23 | 0 | Hydrophobic |
| CAB | CD1 | LEU- 169 | 4.14 | 0 | Hydrophobic |
| CAB | CG2 | ILE- 234 | 4.45 | 0 | Hydrophobic |
| OAC | NH1 | ARG- 237 | 2.64 | 150.3 | H-Bond (Protein Donor) |
| OAC | NH2 | ARG- 237 | 2.96 | 132.99 | H-Bond (Protein Donor) |
| OAC | CZ | ARG- 237 | 3.21 | 0 | Ionic (Protein Cationic) |
| CAB | CG2 | THR- 262 | 4.06 | 0 | Hydrophobic |
| CAR | CB | THR- 262 | 4.45 | 0 | Hydrophobic |
| CAO | CB | THR- 262 | 3.59 | 0 | Hydrophobic |
| OAE | OG1 | THR- 262 | 2.89 | 149.1 | H-Bond (Protein Donor) |
| CAI | CG | PRO- 263 | 3.99 | 0 | Hydrophobic |
| CAH | CB | GLN- 265 | 3.85 | 0 | Hydrophobic |
| OAD | OG1 | THR- 266 | 2.66 | 160.71 | H-Bond (Protein Donor) |
