sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.150 Å
X-ray
2010-06-22
| 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 |
|---|---|
| C | 91 % |
| D | 9 % |
| B-Factor: | 32.890 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.174 | 529.875 |
| % Hydrophobic | % Polar |
|---|---|
| 56.05 | 43.95 |
| According to VolSite | |
| HET Code: | PYV |
|---|---|
| Formula: | C16H13BrN2O2S |
| Molecular weight: | 377.256 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 69.11 % |
| 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 |
|---|---|---|
| -23.7333 | -2.21427 | -44.4343 |
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 |
| C6 | CB | PHE- 88 | 3.94 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 110 | 4.41 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 110 | 4.3 | 0 | Hydrophobic |
| BR | CD1 | LEU- 114 | 3.45 | 0 | Hydrophobic |
| C10 | CB | ALA- 116 | 3.43 | 0 | Hydrophobic |
| C9 | CB | ALA- 116 | 3.54 | 0 | Hydrophobic |
| C7 | CB | SER- 119 | 3.78 | 0 | Hydrophobic |
| C11 | CE1 | PHE- 135 | 4.15 | 0 | Hydrophobic |
| C11 | CD1 | ILE- 137 | 4.01 | 0 | Hydrophobic |
| C9 | CB | HIS- 142 | 3.75 | 0 | Hydrophobic |
| C9 | CD1 | LEU- 144 | 3.56 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 144 | 3.64 | 0 | Hydrophobic |
| BR | CZ | PHE- 189 | 3.47 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 193 | 3.95 | 0 | Hydrophobic |
| BR | CG2 | VAL- 193 | 4.14 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 193 | 4.05 | 0 | Hydrophobic |
| C14 | CG1 | ILE- 194 | 3.97 | 0 | Hydrophobic |
| O1 | O | HOH- 214 | 3.47 | 137.54 | H-Bond (Protein Donor) |
