sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2010-06-22
| 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: | 42.970 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.324 | 793.125 |
| % Hydrophobic | % Polar |
|---|---|
| 57.45 | 42.55 |
| According to VolSite | |
| HET Code: | PYV |
|---|---|
| Formula: | C16H13BrN2O2S |
| Molecular weight: | 377.256 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 53.95 % |
| Polar Surface area: | 67.44 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -20.9994 | 2.33086 | -20.7966 |
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 |
| C11 | CG1 | VAL- 85 | 4.47 | 0 | Hydrophobic |
| C16 | CB | VAL- 87 | 4.01 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 87 | 3.65 | 0 | Hydrophobic |
| C8 | CG2 | VAL- 114 | 3.68 | 0 | Hydrophobic |
| BR | CD1 | LEU- 121 | 3.44 | 0 | Hydrophobic |
| C9 | CB | LEU- 121 | 3.99 | 0 | Hydrophobic |
| C10 | CD1 | LEU- 121 | 3.85 | 0 | Hydrophobic |
| C8 | CB | TYR- 124 | 4.21 | 0 | Hydrophobic |
| BR | CE2 | PHE- 165 | 3.84 | 0 | Hydrophobic |
| BR | CG2 | VAL- 166 | 3.79 | 0 | Hydrophobic |
| BR | CG2 | VAL- 169 | 4.04 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 169 | 3.29 | 0 | Hydrophobic |
| N2 | O | HOH- 215 | 2.91 | 168.05 | H-Bond (Protein Donor) |
