sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2012-03-13
| 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: | 59.816 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.435 | 1076.625 |
| % Hydrophobic | % Polar |
|---|---|
| 58.62 | 41.38 |
| According to VolSite | |
| HET Code: | RRH |
|---|---|
| Formula: | C24H23O3 |
| Molecular weight: | 359.438 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.98 % |
| Polar Surface area: | 49.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 15.416 | 21.5698 | 9.66485 |
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 |
| CBA | CE2 | PHE- 264 | 4.06 | 0 | Hydrophobic |
| CAE | CD | LYS- 265 | 4.31 | 0 | Hydrophobic |
| CAQ | CG2 | ILE- 281 | 3.85 | 0 | Hydrophobic |
| CAH | SG | CYS- 285 | 3.71 | 0 | Hydrophobic |
| CAL | CB | CYS- 285 | 3.65 | 0 | Hydrophobic |
| DuAr | DuAr | PHE- 287 | 3.96 | 0 | Aromatic Face/Face |
| CAA | CD | ARG- 288 | 3.2 | 0 | Hydrophobic |
| CAP | CG | ARG- 288 | 4.4 | 0 | Hydrophobic |
| CAZ | CG | ARG- 288 | 3.64 | 0 | Hydrophobic |
| CAM | CD1 | LEU- 330 | 3.97 | 0 | Hydrophobic |
| CAB | CG2 | ILE- 341 | 3.63 | 0 | Hydrophobic |
| CAW | CG2 | ILE- 341 | 3.8 | 0 | Hydrophobic |
| CAV | CD1 | ILE- 341 | 3.96 | 0 | Hydrophobic |
| CAN | CB | ILE- 341 | 3.65 | 0 | Hydrophobic |
| CAO | CE | MET- 348 | 3.78 | 0 | Hydrophobic |
| CAH | SD | MET- 364 | 3.56 | 0 | Hydrophobic |
| CAI | CE | MET- 364 | 3.25 | 0 | Hydrophobic |
