sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
2010-06-14
| Name: | Glutamate receptor 2 |
|---|---|
| ID: | GRIA2_HUMAN |
| AC: | P42262 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 48 % |
| B | 52 % |
| B-Factor: | 15.632 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.893 | 776.250 |
| % Hydrophobic | % Polar |
|---|---|
| 37.83 | 62.17 |
| According to VolSite | |
| HET Code: | 7T9 |
|---|---|
| Formula: | C17H19FN2O2S |
| Molecular weight: | 334.408 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.36 % |
| Polar Surface area: | 67.44 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 30.5983 | 44.4021 | 18.8067 |
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 |
| C3 | CB | LYS- 104 | 4.36 | 0 | Hydrophobic |
| C11 | CB | PRO- 105 | 3.49 | 0 | Hydrophobic |
| C9 | CB | PRO- 105 | 4.05 | 0 | Hydrophobic |
| C8 | CG | PRO- 105 | 4.41 | 0 | Hydrophobic |
| C14 | CG | PRO- 105 | 3.48 | 0 | Hydrophobic |
| C14 | CG | PRO- 105 | 3.48 | 0 | Hydrophobic |
| C10 | CG | PRO- 105 | 3.61 | 0 | Hydrophobic |
| N7 | O | PRO- 105 | 2.8 | 130.16 | H-Bond (Ligand Donor) |
| C18 | CB | SER- 108 | 3.89 | 0 | Hydrophobic |
| C14 | CB | SER- 108 | 4.37 | 0 | Hydrophobic |
| C11 | CB | SER- 108 | 3.47 | 0 | Hydrophobic |
| C1 | CB | LYS- 218 | 3.79 | 0 | Hydrophobic |
| C3 | CG1 | VAL- 238 | 4.1 | 0 | Hydrophobic |
| C3 | CD2 | LEU- 239 | 3.73 | 0 | Hydrophobic |
| F21 | CB | SER- 242 | 4.32 | 0 | Hydrophobic |
| C3 | CB | SER- 242 | 3.79 | 0 | Hydrophobic |
| F21 | CD1 | LEU- 247 | 3.87 | 0 | Hydrophobic |
| O5 | O | HOH- 3007 | 3.36 | 130.46 | H-Bond (Protein Donor) |
