sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.350 Å
X-ray
2013-09-17
| Name: | Gamma-aminobutyric acid type B receptor subunit 1 |
|---|---|
| ID: | GABR1_HUMAN |
| AC: | Q9UBS5 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 50.502 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.838 | 475.875 |
| % Hydrophobic | % Polar |
|---|---|
| 46.81 | 53.19 |
| According to VolSite | |
| HET Code: | 2BX |
|---|---|
| Formula: | C8H15NO3 |
| Molecular weight: | 173.210 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.09 % |
| Polar Surface area: | 65.97 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -49.0801 | 22.1017 | -27.5867 |
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 |
| C2 | CD2 | TRP- 65 | 3.75 | 0 | Hydrophobic |
| O1 | OG | SER- 130 | 2.97 | 163.54 | H-Bond (Protein Donor) |
| O2 | N | SER- 130 | 2.83 | 174.27 | H-Bond (Protein Donor) |
| O1 | N | SER- 153 | 3.02 | 165.86 | H-Bond (Protein Donor) |
| O1 | OG | SER- 153 | 2.92 | 173.83 | H-Bond (Protein Donor) |
| C3 | CB | SER- 153 | 4.23 | 0 | Hydrophobic |
| C4 | CB | SER- 153 | 3.82 | 0 | Hydrophobic |
| N | NE2 | HIS- 170 | 3.09 | 162.29 | H-Bond (Ligand Donor) |
| C8 | CE2 | TRP- 278 | 4.36 | 0 | Hydrophobic |
| C7 | CD2 | TRP- 278 | 4.13 | 0 | Hydrophobic |
| C4 | CE2 | TRP- 278 | 4.5 | 0 | Hydrophobic |
| C8 | CE | MET- 312 | 4.04 | 0 | Hydrophobic |
| N | OE2 | GLU- 349 | 2.79 | 153.11 | H-Bond (Ligand Donor) |
| N | OE2 | GLU- 349 | 2.79 | 0 | Ionic (Ligand Cationic) |
