sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.280 Å
X-ray
2013-06-18
| 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 | 13 % |
| B | 87 % |
| B-Factor: | 32.323 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.452 | 1299.375 |
| % Hydrophobic | % Polar |
|---|---|
| 53.77 | 46.23 |
| According to VolSite | |
| HET Code: | LRG |
|---|---|
| Formula: | C21H17O3 |
| Molecular weight: | 317.358 g/mol |
| DrugBank ID: | DB08121 |
| Buried Surface Area: | 75.92 % |
| 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: | 6 |
| X | Y | Z |
|---|---|---|
| -2.90929 | 38.0603 | 21.8222 |
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 |
| CAG | CD2 | PHE- 282 | 3.31 | 0 | Hydrophobic |
| CAV | CB | PHE- 282 | 3.62 | 0 | Hydrophobic |
| CAV | CB | PHE- 282 | 3.62 | 0 | Hydrophobic |
| CAX | CB | CYS- 285 | 4.25 | 0 | Hydrophobic |
| CAC | SG | CYS- 285 | 3.55 | 0 | Hydrophobic |
| CAI | CB | CYS- 285 | 3.91 | 0 | Hydrophobic |
| CAU | CB | CYS- 285 | 3.73 | 0 | Hydrophobic |
| CAL | CB | GLN- 286 | 4.27 | 0 | Hydrophobic |
| CAP | CB | GLN- 286 | 3.93 | 0 | Hydrophobic |
| CAE | CG | ARG- 288 | 3.83 | 0 | Hydrophobic |
| OAB | OG | SER- 289 | 2.62 | 169.87 | H-Bond (Protein Donor) |
| CAI | CG2 | ILE- 326 | 4 | 0 | Hydrophobic |
| CAQ | CE1 | TYR- 327 | 4.38 | 0 | Hydrophobic |
| CAC | CD2 | LEU- 330 | 4.2 | 0 | Hydrophobic |
| CAF | SD | MET- 364 | 4.48 | 0 | Hydrophobic |
| OAA | NE2 | HIS- 449 | 2.91 | 138.65 | H-Bond (Protein Donor) |
| CAK | CD2 | LEU- 453 | 4.46 | 0 | Hydrophobic |
| CAO | CD2 | LEU- 453 | 3.88 | 0 | Hydrophobic |
| CAK | CB | PRO- 467 | 3.82 | 0 | Hydrophobic |
| OAB | OH | TYR- 473 | 2.71 | 165.94 | H-Bond (Protein Donor) |
| OAA | OH | TYR- 477 | 2.68 | 149.21 | H-Bond (Protein Donor) |
