sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2011-11-07
| 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 | 97 % |
| B | 3 % |
| B-Factor: | 40.536 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.454 | 475.875 |
| % Hydrophobic | % Polar |
|---|---|
| 63.12 | 36.88 |
| According to VolSite | |
| HET Code: | A8S |
|---|---|
| Formula: | C15H19O4 |
| Molecular weight: | 263.309 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.64 % |
| 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 |
|---|---|---|
| 9.71747 | -13.5701 | -8.88779 |
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 | 3.17 | 142.14 | H-Bond (Protein Donor) |
| O11 | NZ | LYS- 64 | 3.17 | 0 | Ionic (Protein Cationic) |
| O12 | NZ | LYS- 64 | 3.68 | 0 | Ionic (Protein Cationic) |
| C13 | CB | PHE- 66 | 3.68 | 0 | Hydrophobic |
| C15 | CG1 | VAL- 87 | 3.66 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 91 | 4.19 | 0 | Hydrophobic |
| C15 | CB | ALA- 93 | 4.06 | 0 | Hydrophobic |
| C14 | CB | SER- 96 | 3.57 | 0 | Hydrophobic |
| C15 | CB | SER- 96 | 3.95 | 0 | Hydrophobic |
| C11 | CB | HIS- 119 | 3.95 | 0 | Hydrophobic |
| C15 | CB | HIS- 119 | 4.26 | 0 | Hydrophobic |
| C6 | CD2 | LEU- 121 | 4.14 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 121 | 3.66 | 0 | Hydrophobic |
| C6 | CZ | TYR- 124 | 3.61 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 166 | 4.02 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 169 | 4.18 | 0 | Hydrophobic |
| C13 | CG1 | VAL- 169 | 3.76 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 170 | 4.18 | 0 | Hydrophobic |
