sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.850 Å
X-ray
2013-02-19
| 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: | 80.286 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.365 | 1231.875 |
| % Hydrophobic | % Polar |
|---|---|
| 62.19 | 37.81 |
| According to VolSite | |
| HET Code: | STL |
|---|---|
| Formula: | C14H12O3 |
| Molecular weight: | 228.243 g/mol |
| DrugBank ID: | DB02709 |
| Buried Surface Area: | 62.06 % |
| Polar Surface area: | 60.69 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 16.627 | 23.1612 | 8.15653 |
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 |
| C12 | CD1 | LEU- 255 | 4.24 | 0 | Hydrophobic |
| C13 | CG | PHE- 264 | 3.45 | 0 | Hydrophobic |
| C13 | CB | HIS- 266 | 3.58 | 0 | Hydrophobic |
| O1 | NE | ARG- 280 | 3.08 | 136.07 | H-Bond (Protein Donor) |
| O1 | NH2 | ARG- 280 | 2.86 | 143.46 | H-Bond (Protein Donor) |
| C11 | CB | ARG- 280 | 4.3 | 0 | Hydrophobic |
| C10 | CG2 | ILE- 281 | 4.01 | 0 | Hydrophobic |
| C11 | CG1 | ILE- 281 | 3.64 | 0 | Hydrophobic |
| C6 | CB | CYS- 285 | 4.32 | 0 | Hydrophobic |
| C3 | CG | ARG- 288 | 3.34 | 0 | Hydrophobic |
| C1 | CG2 | ILE- 341 | 3.66 | 0 | Hydrophobic |
| C4 | CB | ILE- 341 | 3.6 | 0 | Hydrophobic |
| O2 | N | SER- 342 | 2.83 | 160.15 | H-Bond (Protein Donor) |
| C10 | CE | MET- 348 | 3.92 | 0 | Hydrophobic |
