sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.600 Å
X-ray
2010-03-30
| Name: | Cholesterol 24-hydroxylase |
|---|---|
| ID: | CP46A_HUMAN |
| AC: | Q9Y6A2 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 13.522 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.547 | 1225.125 |
| % Hydrophobic | % Polar |
|---|---|
| 60.06 | 39.94 |
| According to VolSite | |
| HET Code: | FJZ |
|---|---|
| Formula: | C15H24N4S |
| Molecular weight: | 292.443 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 72.88 % |
| Polar Surface area: | 76.04 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -25.7226 | 1.8324 | -11.7171 |
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 |
| C15 | CE1 | PHE- 80 | 4.14 | 0 | Hydrophobic |
| C11 | CZ | PHE- 80 | 3.95 | 0 | Hydrophobic |
| C13 | CD2 | TYR- 109 | 3.64 | 0 | Hydrophobic |
| C14 | CZ | TYR- 109 | 3.82 | 0 | Hydrophobic |
| C15 | CE2 | TYR- 109 | 3.52 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 112 | 3.49 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 112 | 4.42 | 0 | Hydrophobic |
| C11 | CG | LEU- 112 | 4.02 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 112 | 3.74 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 126 | 3.84 | 0 | Hydrophobic |
| N2 | OG1 | THR- 306 | 2.84 | 134.31 | H-Bond (Ligand Donor) |
| C12 | CZ2 | TRP- 368 | 3.97 | 0 | Hydrophobic |
| C12 | CE2 | PHE- 371 | 4.31 | 0 | Hydrophobic |
| C15 | CD2 | PHE- 371 | 3.67 | 0 | Hydrophobic |
| C6 | CG2 | THR- 475 | 3.47 | 0 | Hydrophobic |
