sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.880 Å
X-ray
2009-10-23
| Name: | Abscisic acid receptor PYL1 |
|---|---|
| ID: | PYL1_ARATH |
| AC: | Q8VZS8 |
| Organism: | Arabidopsis thaliana |
| Reign: | Eukaryota |
| TaxID: | 3702 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 94 % |
| B | 6 % |
| B-Factor: | 51.636 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.490 | 357.750 |
| % Hydrophobic | % Polar |
|---|---|
| 76.42 | 23.58 |
| According to VolSite | |
| HET Code: | A8S |
|---|---|
| Formula: | C15H19O4 |
| Molecular weight: | 263.309 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 66.23 % |
| 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 |
|---|---|---|
| 3.03374 | 10.6343 | 15.1041 |
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- 86 | 3.09 | 0 | Ionic (Protein Cationic) |
| O12 | NZ | LYS- 86 | 2.6 | 0 | Ionic (Protein Cationic) |
| O12 | NZ | LYS- 86 | 2.6 | 158.55 | H-Bond (Protein Donor) |
| C13 | CB | PHE- 88 | 3.5 | 0 | Hydrophobic |
| C15 | CG2 | VAL- 110 | 3.41 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 114 | 4.15 | 0 | Hydrophobic |
| C11 | CB | ALA- 116 | 4.15 | 0 | Hydrophobic |
| C15 | CB | ALA- 116 | 3.86 | 0 | Hydrophobic |
| C14 | CB | SER- 119 | 4.05 | 0 | Hydrophobic |
| C15 | CB | SER- 119 | 4.14 | 0 | Hydrophobic |
| C14 | CD1 | ILE- 137 | 3.46 | 0 | Hydrophobic |
| C11 | CB | HIS- 142 | 3.78 | 0 | Hydrophobic |
| C15 | CB | HIS- 142 | 4.44 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 144 | 3.7 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 144 | 3.93 | 0 | Hydrophobic |
| C6 | CZ | TYR- 147 | 3.98 | 0 | Hydrophobic |
| C6 | CB | ALA- 190 | 4.42 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 193 | 3.96 | 0 | Hydrophobic |
| C13 | CG1 | VAL- 193 | 4.13 | 0 | Hydrophobic |
| O10 | O | HOH- 228 | 2.8 | 179.98 | H-Bond (Protein Donor) |
