sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.960 Å
X-ray
2013-08-06
| Name: | Sodium-dependent dopamine transporter |
|---|---|
| ID: | DAT_DROME |
| AC: | Q7K4Y6 |
| Organism: | Drosophila melanogaster |
| Reign: | Eukaryota |
| TaxID: | 7227 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 76.602 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | NA NA |
| Ligandability | Volume (Å3) |
|---|---|
| 1.271 | 1255.500 |
| % Hydrophobic | % Polar |
|---|---|
| 51.08 | 48.92 |
| According to VolSite | |
| HET Code: | 21B |
|---|---|
| Formula: | C19H22N |
| Molecular weight: | 264.385 g/mol |
| DrugBank ID: | DB00540 |
| Buried Surface Area: | 67.14 % |
| Polar Surface area: | 16.61 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 0 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -39.0607 | -1.82285 | 55.2198 |
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 |
| N | O | PHE- 43 | 2.73 | 128.56 | H-Bond (Ligand Donor) |
| C14 | CE1 | PHE- 43 | 3.64 | 0 | Hydrophobic |
| C1 | CG2 | ILE- 116 | 4.2 | 0 | Hydrophobic |
| C11 | CB | ALA- 117 | 4.27 | 0 | Hydrophobic |
| C11 | CB | VAL- 120 | 4.07 | 0 | Hydrophobic |
| C3 | CG1 | VAL- 120 | 4.11 | 0 | Hydrophobic |
| C | CG2 | VAL- 120 | 4.1 | 0 | Hydrophobic |
| C1 | CG2 | VAL- 120 | 4 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 120 | 3.54 | 0 | Hydrophobic |
| C9 | CB | TYR- 124 | 3.84 | 0 | Hydrophobic |
| C9 | CD1 | TYR- 124 | 3.44 | 0 | Hydrophobic |
| C12 | CD2 | PHE- 325 | 3.39 | 0 | Hydrophobic |
| C14 | CB | SER- 421 | 3.66 | 0 | Hydrophobic |
| C | CB | ALA- 479 | 3.53 | 0 | Hydrophobic |
