sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2009-08-05
| 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 |
|---|---|
| B | 55 % |
| E | 45 % |
| B-Factor: | 28.787 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.028 | 850.500 |
| % Hydrophobic | % Polar |
|---|---|
| 40.48 | 59.52 |
| According to VolSite | |
| HET Code: | HCZ |
|---|---|
| Formula: | C7H8ClN3O4S2 |
| Molecular weight: | 297.739 g/mol |
| DrugBank ID: | DB00999 |
| Buried Surface Area: | 71.16 % |
| Polar Surface area: | 135.11 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 3.38635 | 2.51218 | -29.4675 |
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 |
| C13 | CG | LYS- 104 | 4.22 | 0 | Hydrophobic |
| N01 | OG | SER- 108 | 3.49 | 121.13 | H-Bond (Ligand Donor) |
| CL11 | CB | SER- 108 | 3.8 | 0 | Hydrophobic |
| CL11 | CB | SER- 217 | 4.23 | 0 | Hydrophobic |
| C06 | CB | LYS- 218 | 4.25 | 0 | Hydrophobic |
| O17 | N | GLY- 219 | 3.23 | 136.13 | H-Bond (Protein Donor) |
| C13 | CG1 | VAL- 238 | 4.1 | 0 | Hydrophobic |
