sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.550 Å
X-ray
2013-07-09
| Name: | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A |
|---|---|
| ID: | PDE10_HUMAN |
| AC: | Q9Y233 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 3.1.4.17 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 19.099 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.044 | 745.875 |
| % Hydrophobic | % Polar |
|---|---|
| 57.01 | 42.99 |
| According to VolSite | |
| HET Code: | MEW |
|---|---|
| Formula: | C9H8N2O |
| Molecular weight: | 160.173 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.85 % |
| Polar Surface area: | 41.46 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 4.14325 | 13.0917 | 44.1416 |
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 |
| CAL | CD2 | LEU- 675 | 3.82 | 0 | Hydrophobic |
| CAG | CG1 | VAL- 678 | 3.35 | 0 | Hydrophobic |
| CAG | CD1 | ILE- 692 | 3.42 | 0 | Hydrophobic |
| CAN | CE2 | PHE- 696 | 3.96 | 0 | Hydrophobic |
| CAN | SD | MET- 713 | 3.6 | 0 | Hydrophobic |
| NAO | NE2 | GLN- 726 | 3.32 | 166.61 | H-Bond (Protein Donor) |
| CAN | CD1 | PHE- 729 | 3.77 | 0 | Hydrophobic |
