sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
1993-06-14
| Name: | Cholesterol oxidase |
|---|---|
| ID: | CHOD_BREST |
| AC: | P22637 |
| Organism: | Brevibacterium sterolicum |
| Reign: | Bacteria |
| TaxID: | 1702 |
| EC Number: | 1.1.3.6 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 14.065 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | FAD |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.220 | 290.250 |
| % Hydrophobic | % Polar |
|---|---|
| 65.12 | 34.88 |
| According to VolSite | |
| HET Code: | AND |
|---|---|
| Formula: | C19H28O2 |
| Molecular weight: | 288.424 g/mol |
| DrugBank ID: | DB01708 |
| Buried Surface Area: | 74.74 % |
| Polar Surface area: | 37.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| -5.07948 | 19.5823 | 23.1657 |
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 | SD | MET- 59 | 4.09 | 0 | Hydrophobic |
| C12 | CG | PRO- 76 | 4 | 0 | Hydrophobic |
| O17 | N | VAL- 77 | 3.26 | 153.65 | H-Bond (Protein Donor) |
| C18 | CG2 | VAL- 77 | 3.41 | 0 | Hydrophobic |
| C16 | CZ | PHE- 83 | 3.24 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 217 | 3.93 | 0 | Hydrophobic |
| C9 | CG2 | ILE- 218 | 4.38 | 0 | Hydrophobic |
| C11 | SD | MET- 325 | 4.13 | 0 | Hydrophobic |
| C18 | CE | MET- 325 | 4.48 | 0 | Hydrophobic |
| C19 | CE | MET- 325 | 4.03 | 0 | Hydrophobic |
| C4 | CG | PRO- 344 | 3.58 | 0 | Hydrophobic |
| C19 | CB | ALA- 363 | 3.54 | 0 | Hydrophobic |
| C7 | CG | PRO- 364 | 4.12 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 375 | 3.36 | 0 | Hydrophobic |
| C2 | CD2 | LEU- 377 | 4.09 | 0 | Hydrophobic |
| C1 | CE2 | TYR- 446 | 3.73 | 0 | Hydrophobic |
| C2 | CD2 | TYR- 446 | 4.38 | 0 | Hydrophobic |
| C11 | CZ | TYR- 446 | 3.91 | 0 | Hydrophobic |
| O3 | N5 | FAD- 510 | 2.91 | 153.12 | H-Bond (Ligand Donor) |
| C2 | C6 | FAD- 510 | 3.85 | 0 | Hydrophobic |
| O3 | O | HOH- 541 | 3.11 | 179.98 | H-Bond (Protein Donor) |
