sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2014-01-20
| Name: | Peroxisome proliferator-activated receptor gamma |
|---|---|
| ID: | PPARG_HUMAN |
| AC: | P37231 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 41.586 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.702 | 897.750 |
| % Hydrophobic | % Polar |
|---|---|
| 59.02 | 40.98 |
| According to VolSite | |
| HET Code: | DIF |
|---|---|
| Formula: | C14H10Cl2NO2 |
| Molecular weight: | 295.141 g/mol |
| DrugBank ID: | DB00586 |
| Buried Surface Area: | 53.97 % |
| Polar Surface area: | 52.16 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -6.22284 | 17.4772 | -5.51658 |
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 | CG2 | ILE- 281 | 4.01 | 0 | Hydrophobic |
| C5 | CB | CYS- 285 | 3.59 | 0 | Hydrophobic |
| C9 | SG | CYS- 285 | 3.94 | 0 | Hydrophobic |
| C6 | CB | CYS- 285 | 3.38 | 0 | Hydrophobic |
| C9 | CB | ARG- 288 | 3.68 | 0 | Hydrophobic |
| C11 | CG2 | ILE- 326 | 4.13 | 0 | Hydrophobic |
| CL4 | CD1 | LEU- 330 | 3.68 | 0 | Hydrophobic |
| C12 | CD1 | LEU- 330 | 4 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 333 | 3.88 | 0 | Hydrophobic |
| CL4 | CG2 | VAL- 339 | 3.92 | 0 | Hydrophobic |
| C2 | CG2 | ILE- 341 | 3.79 | 0 | Hydrophobic |
| C3 | CG2 | ILE- 341 | 3.39 | 0 | Hydrophobic |
| O2 | N | SER- 342 | 2.92 | 157.12 | H-Bond (Protein Donor) |
| CL4 | CE | MET- 364 | 3.75 | 0 | Hydrophobic |
| C5 | SD | MET- 364 | 4.18 | 0 | Hydrophobic |
