sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
2015-01-26
| 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: | 71.519 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.446 | 853.875 |
| % Hydrophobic | % Polar |
|---|---|
| 56.52 | 43.48 |
| According to VolSite | |
| HET Code: | IMN |
|---|---|
| Formula: | C19H15ClNO4 |
| Molecular weight: | 356.780 g/mol |
| DrugBank ID: | DB00328 |
| Buried Surface Area: | 47.54 % |
| Polar Surface area: | 71.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 16.6452 | 10.6683 | 8.5686 |
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 |
| CL | CG | GLU- 259 | 3.4 | 0 | Hydrophobic |
| C14 | CB | ARG- 280 | 4.36 | 0 | Hydrophobic |
| C5 | CG2 | ILE- 281 | 4.49 | 0 | Hydrophobic |
| C15 | CG1 | ILE- 281 | 4.34 | 0 | Hydrophobic |
| C6 | SG | CYS- 285 | 3.95 | 0 | Hydrophobic |
| C4 | SG | CYS- 285 | 3.31 | 0 | Hydrophobic |
| C2 | CG | ARG- 288 | 4.34 | 0 | Hydrophobic |
| C6 | CG | ARG- 288 | 3.97 | 0 | Hydrophobic |
| C17 | CB | ARG- 288 | 3.49 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 330 | 4.28 | 0 | Hydrophobic |
| C11 | CD1 | ILE- 341 | 3.7 | 0 | Hydrophobic |
| C | CG2 | ILE- 341 | 3.79 | 0 | Hydrophobic |
| O2 | N | SER- 342 | 3.24 | 144.07 | H-Bond (Protein Donor) |
| O3 | N | SER- 342 | 2.92 | 129.53 | H-Bond (Protein Donor) |
| C11 | CE | MET- 348 | 3.77 | 0 | Hydrophobic |
