sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.910 Å
X-ray
2011-04-28
| Name: | Gamma-aminobutyric-acid receptor subunit beta-1 |
|---|---|
| ID: | E0SJQ4_DICD3 |
| AC: | E0SJQ4 |
| Organism: | Dickeya dadantii |
| Reign: | Bacteria |
| TaxID: | 198628 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 44 % |
| C | 56 % |
| B-Factor: | 68.904 |
|---|---|
| Number of residues: | 18 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.590 | 671.625 |
| % Hydrophobic | % Polar |
|---|---|
| 41.71 | 58.29 |
| According to VolSite | |
| HET Code: | ACH |
|---|---|
| Formula: | C7H16NO2 |
| Molecular weight: | 146.207 g/mol |
| DrugBank ID: | DB03128 |
| Buried Surface Area: | 81.6 % |
| Polar Surface area: | 26.3 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -86.189 | -64.1162 | -60.5504 |
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 | CG | PHE- 19 | 3.39 | 0 | Hydrophobic |
| C3 | CE1 | TYR- 38 | 4.02 | 0 | Hydrophobic |
| C6 | CD2 | TYR- 38 | 3.6 | 0 | Hydrophobic |
| O7 | ND2 | ASN- 103 | 3.23 | 140.57 | H-Bond (Protein Donor) |
| N1 | OE2 | GLU- 131 | 3.98 | 0 | Ionic (Ligand Cationic) |
| C3 | CD2 | LEU- 178 | 3.84 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 178 | 4.32 | 0 | Hydrophobic |
