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
1992-07-27
| Name: | Camphor 5-monooxygenase |
|---|---|
| ID: | CPXA_PSEPU |
| AC: | P00183 |
| Organism: | Pseudomonas putida |
| Reign: | Bacteria |
| TaxID: | 303 |
| EC Number: | 1.14.15.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 14.665 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.840 | 870.750 |
| % Hydrophobic | % Polar |
|---|---|
| 64.34 | 35.66 |
| According to VolSite | |
| HET Code: | MYT |
|---|---|
| Formula: | C14H14N2O |
| Molecular weight: | 226.274 g/mol |
| DrugBank ID: | DB01011 |
| Buried Surface Area: | 79.08 % |
| Polar Surface area: | 42.85 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 46.5614 | 44.7996 | 14.2598 |
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 |
| C11 | CE1 | PHE- 87 | 4.21 | 0 | Hydrophobic |
| C16 | CZ | PHE- 87 | 3.38 | 0 | Hydrophobic |
| N14 | OH | TYR- 96 | 2.72 | 159.53 | H-Bond (Protein Donor) |
| C16 | CG2 | THR- 185 | 3.67 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 244 | 3.62 | 0 | Hydrophobic |
| C4 | CG1 | VAL- 247 | 4.11 | 0 | Hydrophobic |
| C16 | CG1 | VAL- 247 | 3.26 | 0 | Hydrophobic |
| C3 | CG2 | THR- 252 | 3.79 | 0 | Hydrophobic |
| C11 | CG1 | VAL- 295 | 3.73 | 0 | Hydrophobic |
| C11 | CB | ASP- 297 | 4.21 | 0 | Hydrophobic |
| C11 | CG2 | ILE- 395 | 3.52 | 0 | Hydrophobic |
| C17 | CG2 | ILE- 395 | 4.17 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 396 | 4.4 | 0 | Hydrophobic |
