sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.900 Å
X-ray
2010-10-11
| 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: | 27.000 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.381 | 1488.375 |
| % Hydrophobic | % Polar |
|---|---|
| 60.77 | 39.23 |
| According to VolSite | |
| HET Code: | A6B |
|---|---|
| Formula: | C27H44N4O3S |
| Molecular weight: | 504.728 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 48.61 % |
| Polar Surface area: | 124.62 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 4 |
| Rings: | 6 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 13 |
| X | Y | Z |
|---|---|---|
| -5.8202 | -31.8537 | 25.3845 |
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 |
| C28 | CG | TYR- 29 | 3.99 | 0 | Hydrophobic |
| C31 | CE1 | TYR- 29 | 3.81 | 0 | Hydrophobic |
| C33 | CZ | TYR- 29 | 3.87 | 0 | Hydrophobic |
| C15 | CE2 | PHE- 87 | 4.02 | 0 | Hydrophobic |
| C6 | CZ | PHE- 87 | 4.13 | 0 | Hydrophobic |
| C2 | CZ | TYR- 96 | 4.44 | 0 | Hydrophobic |
| C15 | CE2 | TYR- 96 | 4.5 | 0 | Hydrophobic |
| O13 | OH | TYR- 96 | 2.5 | 136.73 | H-Bond (Protein Donor) |
| C3 | CG2 | THR- 101 | 4.24 | 0 | Hydrophobic |
| C16 | CG2 | THR- 185 | 4.3 | 0 | Hydrophobic |
| C31 | CG | PRO- 187 | 4.09 | 0 | Hydrophobic |
| C15 | CE1 | PHE- 193 | 4.2 | 0 | Hydrophobic |
| C17 | CE1 | PHE- 193 | 4.39 | 0 | Hydrophobic |
| C2 | CD1 | LEU- 244 | 4.1 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 244 | 4.43 | 0 | Hydrophobic |
| C9 | CG2 | THR- 252 | 3.67 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 295 | 3.86 | 0 | Hydrophobic |
| C17 | CD1 | ILE- 395 | 4.23 | 0 | Hydrophobic |
| C33 | CD1 | ILE- 395 | 4.32 | 0 | Hydrophobic |
| C6 | CG2 | ILE- 395 | 3.95 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 396 | 3.84 | 0 | Hydrophobic |
