sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.510 Å
X-ray
2014-07-21
| Name: | Stimulator of interferon genes protein |
|---|---|
| ID: | STING_HUMAN |
| AC: | Q86WV6 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 47 % |
| B | 53 % |
| B-Factor: | 55.029 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.755 | 911.250 |
| % Hydrophobic | % Polar |
|---|---|
| 36.67 | 63.33 |
| According to VolSite | |
| HET Code: | 1YE |
|---|---|
| Formula: | C17H13O4 |
| Molecular weight: | 281.283 g/mol |
| DrugBank ID: | DB06235 |
| Buried Surface Area: | 67.46 % |
| 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 |
|---|---|---|
| 12.7451 | -77.8775 | -56.1856 |
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 | CB | SER- 162 | 4.29 | 0 | Hydrophobic |
| CAF | CB | SER- 162 | 4 | 0 | Hydrophobic |
| CAH | CG2 | ILE- 165 | 4.23 | 0 | Hydrophobic |
| CAK | CB | TYR- 167 | 4.46 | 0 | Hydrophobic |
| CAA | CD1 | LEU- 170 | 4.38 | 0 | Hydrophobic |
| CAA | CG2 | ILE- 235 | 4.23 | 0 | Hydrophobic |
| OAC | NH1 | ARG- 238 | 2.56 | 129.13 | H-Bond (Protein Donor) |
| OAC | CZ | ARG- 238 | 3.76 | 0 | Ionic (Protein Cationic) |
| CAB | CG2 | THR- 263 | 4.02 | 0 | Hydrophobic |
| CAR | CB | THR- 263 | 4.36 | 0 | Hydrophobic |
| CAS | CB | THR- 263 | 3.51 | 0 | Hydrophobic |
| OAL | OG1 | THR- 263 | 3.41 | 133.16 | H-Bond (Protein Donor) |
| OAE | OG1 | THR- 263 | 2.72 | 143.26 | H-Bond (Protein Donor) |
| CAI | CG | PRO- 264 | 3.91 | 0 | Hydrophobic |
| CAH | CB | GLN- 266 | 4.18 | 0 | Hydrophobic |
| OAD | OG1 | THR- 267 | 2.87 | 153.06 | H-Bond (Protein Donor) |
| CAJ | CB | THR- 267 | 4.47 | 0 | Hydrophobic |
