sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 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: | 51.015 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.304 | 432.000 |
| % Hydrophobic | % Polar |
|---|---|
| 65.63 | 34.38 |
| According to VolSite | |
| HET Code: | A2O |
|---|---|
| Formula: | C19H22N2O3S |
| Molecular weight: | 358.455 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 71.82 % |
| 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 |
|---|---|---|
| 19.634 | -13.6022 | -13.7695 |
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 |
| C15 | CD | LYS- 64 | 3.73 | 0 | Hydrophobic |
| C6 | CD1 | PHE- 66 | 4.15 | 0 | Hydrophobic |
| C14 | CE1 | PHE- 66 | 3.9 | 0 | Hydrophobic |
| C3 | CB | PHE- 66 | 4.07 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 85 | 4.37 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 87 | 4.36 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 87 | 4.08 | 0 | Hydrophobic |
| C6 | CB | LEU- 91 | 3.9 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 91 | 3.84 | 0 | Hydrophobic |
| C12 | CB | ALA- 93 | 4.32 | 0 | Hydrophobic |
| C7 | CB | SER- 96 | 4.28 | 0 | Hydrophobic |
| C9 | CB | SER- 96 | 3.8 | 0 | Hydrophobic |
| C10 | CG2 | VAL- 114 | 4.45 | 0 | Hydrophobic |
| C12 | CB | HIS- 119 | 3.96 | 0 | Hydrophobic |
| C12 | CD1 | LEU- 121 | 3.82 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 121 | 3.75 | 0 | Hydrophobic |
| C10 | CE2 | TYR- 124 | 3.46 | 0 | Hydrophobic |
| C6 | CZ | PHE- 165 | 4.23 | 0 | Hydrophobic |
| C14 | CE1 | PHE- 165 | 4.05 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 169 | 3.89 | 0 | Hydrophobic |
| C19 | CG1 | VAL- 169 | 3.65 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 393 | 4.19 | 0 | Hydrophobic |
| O2 | O | HOH- 1016 | 2.95 | 179.95 | H-Bond (Protein Donor) |
