sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.890 Å
X-ray
2010-10-20
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 9.800 | 9.840 | 9.840 | 0.040 | 9.870 | 2 |
| Name: | D(3) dopamine receptor |
|---|---|
| ID: | DRD3_HUMAN |
| AC: | P35462 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.786 | 1782.000 |
| % Hydrophobic | % Polar |
|---|---|
| 45.08 | 54.92 |
| According to VolSite | |
| HET Code: | ETQ |
|---|---|
| Formula: | C17H26ClN2O3 |
| Molecular weight: | 341.853 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.21 % |
| Polar Surface area: | 63 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 4.71443 | 13.399 | -9.4087 |
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 |
| C12 | CE2 | PHE- 106 | 3.87 | 0 | Hydrophobic |
| N2 | OD2 | ASP- 110 | 2.82 | 173.13 | H-Bond (Ligand Donor) |
| N2 | OD2 | ASP- 110 | 2.82 | 0 | Ionic (Ligand Cationic) |
| CL1 | CG1 | VAL- 111 | 3.92 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 111 | 3.75 | 0 | Hydrophobic |
| CL1 | CB | CYS- 114 | 3.4 | 0 | Hydrophobic |
| C6 | CB | CYS- 114 | 4.37 | 0 | Hydrophobic |
| C1 | CD1 | ILE- 183 | 3.4 | 0 | Hydrophobic |
| C17 | CG1 | VAL- 189 | 3.78 | 0 | Hydrophobic |
| C16 | CB | SER- 192 | 3.61 | 0 | Hydrophobic |
| C17 | CB | SER- 193 | 4.16 | 0 | Hydrophobic |
| CL1 | CB | SER- 196 | 4.49 | 0 | Hydrophobic |
| C6 | CZ3 | TRP- 342 | 3.76 | 0 | Hydrophobic |
| C15 | CZ3 | TRP- 342 | 4.21 | 0 | Hydrophobic |
| C6 | CE2 | PHE- 345 | 4.11 | 0 | Hydrophobic |
| C15 | CE1 | PHE- 345 | 3.47 | 0 | Hydrophobic |
| C17 | CE2 | PHE- 345 | 4.47 | 0 | Hydrophobic |
| CL1 | CZ | PHE- 346 | 4.24 | 0 | Hydrophobic |
| C17 | CE1 | PHE- 346 | 3.77 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 350 | 3.96 | 0 | Hydrophobic |
| C15 | CG2 | THR- 369 | 4.02 | 0 | Hydrophobic |
