sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.950 Å
X-ray
2009-10-20
| 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: | 28.335 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.219 | 351.000 |
| % Hydrophobic | % Polar |
|---|---|
| 67.31 | 32.69 |
| According to VolSite | |
| HET Code: | A8S |
|---|---|
| Formula: | C15H19O4 |
| Molecular weight: | 263.309 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.49 % |
| 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 |
|---|---|---|
| 20.2002 | -12.632 | -13.8073 |
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 |
| O10 | O | HOH- 3 | 2.72 | 161.39 | H-Bond (Protein Donor) |
| O11 | NZ | LYS- 64 | 2.86 | 169.08 | H-Bond (Protein Donor) |
| O11 | NZ | LYS- 64 | 2.86 | 0 | Ionic (Protein Cationic) |
| O12 | NZ | LYS- 64 | 3.39 | 0 | Ionic (Protein Cationic) |
| C13 | CB | PHE- 66 | 3.55 | 0 | Hydrophobic |
| C13 | CG1 | VAL- 87 | 4.41 | 0 | Hydrophobic |
| C15 | CG2 | VAL- 87 | 3.61 | 0 | Hydrophobic |
| C11 | CB | ALA- 93 | 4.11 | 0 | Hydrophobic |
| C15 | CB | ALA- 93 | 3.71 | 0 | Hydrophobic |
| C14 | CB | SER- 96 | 3.77 | 0 | Hydrophobic |
| C15 | CB | SER- 96 | 4.02 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 114 | 4.48 | 0 | Hydrophobic |
| C11 | CB | HIS- 119 | 3.56 | 0 | Hydrophobic |
| C15 | CB | HIS- 119 | 4.11 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 121 | 3.69 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 121 | 4.06 | 0 | Hydrophobic |
| C6 | CE1 | TYR- 124 | 3.84 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 166 | 4.05 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 169 | 3.86 | 0 | Hydrophobic |
| C13 | CG1 | VAL- 169 | 4.28 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 170 | 4.25 | 0 | Hydrophobic |
| O11 | O | HOH- 209 | 2.72 | 179.94 | H-Bond (Protein Donor) |
