sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.800 Å
X-ray
2010-06-08
| 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 |
|---|---|
| B | 100 % |
| B-Factor: | 93.590 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.586 | 489.375 |
| % Hydrophobic | % Polar |
|---|---|
| 75.17 | 24.83 |
| According to VolSite | |
| HET Code: | PYV |
|---|---|
| Formula: | C16H13BrN2O2S |
| Molecular weight: | 377.256 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.49 % |
| 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 |
|---|---|---|
| -34.9137 | 52.6473 | 6.51395 |
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- 67 | 4.37 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 89 | 3.88 | 0 | Hydrophobic |
| C7 | CG2 | VAL- 89 | 4.03 | 0 | Hydrophobic |
| C1 | CG1 | VAL- 89 | 3.55 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 89 | 3.77 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 89 | 3.59 | 0 | Hydrophobic |
| C8 | CB | SER- 98 | 3.84 | 0 | Hydrophobic |
| N1 | OE2 | GLU- 100 | 2.93 | 150.18 | H-Bond (Ligand Donor) |
| C11 | CZ | PHE- 114 | 3.4 | 0 | Hydrophobic |
| C16 | CD1 | ILE- 116 | 4.37 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 116 | 3.63 | 0 | Hydrophobic |
| C9 | CB | GLU- 120 | 3.69 | 0 | Hydrophobic |
| C9 | CD1 | LEU- 123 | 4.38 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 123 | 3.3 | 0 | Hydrophobic |
| C11 | CE2 | TYR- 126 | 4.26 | 0 | Hydrophobic |
| BR | CZ | PHE- 168 | 3.67 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 172 | 4.45 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 172 | 3.6 | 0 | Hydrophobic |
| C14 | CD1 | ILE- 173 | 4.25 | 0 | Hydrophobic |
