sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.880 Å
X-ray
2013-06-27
| Name: | Abscisic acid receptor PYL2 |
|---|---|
| ID: | PYL2_ARATH |
| AC: | O80992 |
| Organism: | Arabidopsis thaliana |
| Reign: | Eukaryota |
| TaxID: | 3702 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 91 % |
| B | 9 % |
| B-Factor: | 45.754 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.233 | 536.625 |
| % Hydrophobic | % Polar |
|---|---|
| 63.52 | 36.48 |
| According to VolSite | |
| HET Code: | A1O |
|---|---|
| Formula: | C20H24N2O3S |
| Molecular weight: | 372.481 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.36 % |
| Polar Surface area: | 74.86 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: | 6 |
| X | Y | Z |
|---|---|---|
| 19.4033 | -13.1779 | -13.5484 |
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 |
| C18 | CD | LYS- 64 | 4.41 | 0 | Hydrophobic |
| C14 | CZ | PHE- 66 | 4.12 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 87 | 4.49 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 87 | 4.14 | 0 | Hydrophobic |
| C6 | CG | LEU- 91 | 4.12 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 91 | 3.93 | 0 | Hydrophobic |
| C9 | CB | ALA- 93 | 3.77 | 0 | Hydrophobic |
| C7 | CB | SER- 96 | 3.79 | 0 | Hydrophobic |
| N1 | OE1 | GLU- 98 | 2.97 | 125.69 | H-Bond (Ligand Donor) |
| C15 | CE1 | PHE- 112 | 3.63 | 0 | Hydrophobic |
| C12 | CB | HIS- 119 | 3.91 | 0 | Hydrophobic |
| C12 | CD1 | LEU- 121 | 3.59 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 121 | 3.92 | 0 | Hydrophobic |
| C20 | CD1 | LEU- 121 | 4.3 | 0 | Hydrophobic |
| C20 | CZ | TYR- 124 | 4.13 | 0 | Hydrophobic |
| C14 | CZ | PHE- 165 | 3.7 | 0 | Hydrophobic |
| C20 | CG1 | VAL- 166 | 3.8 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 169 | 3.83 | 0 | Hydrophobic |
| C20 | CG1 | VAL- 169 | 3.89 | 0 | Hydrophobic |
| C20 | CG2 | VAL- 170 | 4.36 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 393 | 4.15 | 0 | Hydrophobic |
