sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.470 Å
X-ray
2010-06-17
| Name: | Abscisic acid receptor PYR1 |
|---|---|
| ID: | PYR1_ARATH |
| AC: | O49686 |
| Organism: | Arabidopsis thaliana |
| Reign: | Eukaryota |
| TaxID: | 3702 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 42.140 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.537 | 826.875 |
| % Hydrophobic | % Polar |
|---|---|
| 64.49 | 35.51 |
| According to VolSite | |
| HET Code: | P2M |
|---|---|
| Formula: | C16H14N2O2S |
| Molecular weight: | 298.360 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 62.63 % |
| 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 |
|---|---|---|
| -8.50481 | 2.38714 | 15.3568 |
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- 61 | 4.46 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 62 | 4.29 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 83 | 4.36 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 87 | 3.48 | 0 | Hydrophobic |
| C9 | CB | ALA- 89 | 3.94 | 0 | Hydrophobic |
| C7 | CB | SER- 92 | 4.35 | 0 | Hydrophobic |
| N1 | OE2 | GLU- 94 | 2.6 | 145.13 | H-Bond (Ligand Donor) |
| C11 | CZ | PHE- 108 | 4.02 | 0 | Hydrophobic |
| C8 | CD1 | ILE- 110 | 4.35 | 0 | Hydrophobic |
| C9 | CD2 | LEU- 117 | 3.88 | 0 | Hydrophobic |
| C14 | CB | ALA- 160 | 3.95 | 0 | Hydrophobic |
| C1 | CG2 | VAL- 163 | 4.36 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 163 | 4.14 | 0 | Hydrophobic |
| C15 | CG1 | VAL- 163 | 3.55 | 0 | Hydrophobic |
| C15 | CG2 | VAL- 164 | 4.36 | 0 | Hydrophobic |
