sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.650 Å
X-ray
2013-02-24
| Name: | Abscisic acid receptor PYL3 |
|---|---|
| ID: | PYL3_ARATH |
| AC: | Q9SSM7 |
| Organism: | Arabidopsis thaliana |
| Reign: | Eukaryota |
| TaxID: | 3702 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| C | 6 % |
| D | 94 % |
| B-Factor: | 66.109 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.592 | 637.875 |
| % Hydrophobic | % Polar |
|---|---|
| 68.25 | 31.75 |
| According to VolSite | |
| HET Code: | A9S |
|---|---|
| Formula: | C15H19O4 |
| Molecular weight: | 263.309 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 56.9 % |
| 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 |
|---|---|---|
| -2.03 | -51.9073 | 13.2908 |
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 |
| O3 | NZ | LYS- 79 | 3.12 | 150.77 | H-Bond (Protein Donor) |
| O1 | NZ | LYS- 79 | 2.79 | 144.64 | H-Bond (Protein Donor) |
| O3 | NZ | LYS- 79 | 3.12 | 0 | Ionic (Protein Cationic) |
| O1 | NZ | LYS- 79 | 2.79 | 0 | Ionic (Protein Cationic) |
| C14 | CB | PHE- 81 | 4.21 | 0 | Hydrophobic |
| C13 | CG2 | VAL- 107 | 3.65 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 111 | 4.19 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 111 | 4.11 | 0 | Hydrophobic |
| C13 | CB | ALA- 113 | 3.97 | 0 | Hydrophobic |
| C7 | CB | SER- 116 | 3.89 | 0 | Hydrophobic |
| C15 | CD1 | LEU- 141 | 4.43 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 141 | 3.99 | 0 | Hydrophobic |
| C15 | CZ | TYR- 144 | 3.73 | 0 | Hydrophobic |
| C1 | CZ | PHE- 188 | 3.98 | 0 | Hydrophobic |
| C15 | CG1 | VAL- 189 | 3.95 | 0 | Hydrophobic |
| C15 | CG1 | VAL- 192 | 3.86 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 192 | 3.82 | 0 | Hydrophobic |
