sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.380 Å
X-ray
2009-10-22
| 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 | 100 % |
| B-Factor: | 61.925 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.368 | 408.375 |
| % Hydrophobic | % Polar |
|---|---|
| 70.25 | 29.75 |
| According to VolSite | |
| HET Code: | A8S |
|---|---|
| Formula: | C15H19O4 |
| Molecular weight: | 263.309 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.62 % |
| Polar Surface area: | 77.43 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 4.09679 | 32.0341 | 12.9907 |
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 |
| O11 | NZ | LYS- 64 | 3.7 | 0 | Ionic (Protein Cationic) |
| O12 | NZ | LYS- 64 | 3.27 | 0 | Ionic (Protein Cationic) |
| O12 | NZ | LYS- 64 | 3.27 | 152.75 | H-Bond (Protein Donor) |
| C13 | CB | PHE- 66 | 3.91 | 0 | Hydrophobic |
| C13 | CG2 | VAL- 87 | 3.69 | 0 | Hydrophobic |
| C15 | CG2 | VAL- 87 | 4.22 | 0 | Hydrophobic |
| C15 | CB | ALA- 93 | 3.66 | 0 | Hydrophobic |
| C14 | CB | SER- 96 | 3.77 | 0 | Hydrophobic |
| C15 | CB | SER- 96 | 4.05 | 0 | Hydrophobic |
| C11 | CB | HIS- 119 | 3.94 | 0 | Hydrophobic |
| C15 | CB | HIS- 119 | 4.35 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 121 | 3.73 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 121 | 3.89 | 0 | Hydrophobic |
| C6 | CE1 | TYR- 124 | 3.84 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 166 | 3.54 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 169 | 3.84 | 0 | Hydrophobic |
| C13 | CG1 | VAL- 169 | 4.1 | 0 | Hydrophobic |
| O10 | O | HOH- 197 | 2.8 | 179.95 | H-Bond (Protein Donor) |
