sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.950 Å
X-ray
2011-08-11
| Name: | Glutamate receptor 2 |
|---|---|
| ID: | GRIA2_RAT |
| AC: | P19491 |
| Organism: | Rattus norvegicus |
| Reign: | Eukaryota |
| TaxID: | 10116 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 54 % |
| B | 46 % |
| B-Factor: | 12.302 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.651 | 597.375 |
| % Hydrophobic | % Polar |
|---|---|
| 41.24 | 58.76 |
| According to VolSite | |
| HET Code: | 3TJ |
|---|---|
| Formula: | C9H11FN2O2S |
| Molecular weight: | 230.259 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.89 % |
| Polar Surface area: | 57.79 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 82.4117 | 15.2883 | 28.6337 |
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 |
| NAJ | O | PRO- 105 | 2.93 | 141.69 | H-Bond (Ligand Donor) |
| CAL | CG | PRO- 105 | 4.02 | 0 | Hydrophobic |
| CAG | CG | PRO- 105 | 3.38 | 0 | Hydrophobic |
| CAG | CG | PRO- 105 | 3.67 | 0 | Hydrophobic |
| FAD | CB | SER- 108 | 3.78 | 0 | Hydrophobic |
| CAH | CB | SER- 217 | 4.35 | 0 | Hydrophobic |
| CAI | CB | SER- 242 | 3.91 | 0 | Hydrophobic |
