sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2006-10-24
| Name: | Cytochrome P450 2C8 |
|---|---|
| ID: | CP2C8_HUMAN |
| AC: | P10632 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 44.995 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.095 | 2679.750 |
| % Hydrophobic | % Polar |
|---|---|
| 53.78 | 46.22 |
| According to VolSite | |
| HET Code: | REA |
|---|---|
| Formula: | C20H27O2 |
| Molecular weight: | 299.427 g/mol |
| DrugBank ID: | DB00755 |
| Buried Surface Area: | 51.28 % |
| Polar Surface area: | 40.12 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -12.4737 | 57.3737 | 3.96336 |
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 |
| C20 | CD | ARG- 97 | 4.07 | 0 | Hydrophobic |
| O2 | N | GLY- 98 | 2.69 | 141.68 | H-Bond (Protein Donor) |
| C18 | CG2 | ILE- 113 | 3.75 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 113 | 4 | 0 | Hydrophobic |
| C16 | CG1 | VAL- 296 | 4.38 | 0 | Hydrophobic |
| C19 | CG1 | VAL- 296 | 4.1 | 0 | Hydrophobic |
| C18 | CB | ALA- 297 | 4.19 | 0 | Hydrophobic |
| C3 | CG2 | THR- 301 | 3.63 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 362 | 4.38 | 0 | Hydrophobic |
| C18 | CG2 | VAL- 366 | 4.34 | 0 | Hydrophobic |
| C20 | CG1 | VAL- 366 | 3.44 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 366 | 3.58 | 0 | Hydrophobic |
| C20 | CG | PRO- 367 | 3.43 | 0 | Hydrophobic |
| C17 | CG2 | ILE- 476 | 3.93 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 477 | 3.86 | 0 | Hydrophobic |
