sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.750 Å
X-ray
2010-08-25
| 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: | 19.430 |
|---|---|
| Number of residues: | 39 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.100 | 1616.625 |
| % Hydrophobic | % Polar |
|---|---|
| 58.04 | 41.96 |
| According to VolSite | |
| HET Code: | SAW |
|---|---|
| Formula: | C31H45N3O4S |
| Molecular weight: | 555.772 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 50.39 % |
| Polar Surface area: | 107.11 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 6 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 13 |
| X | Y | Z |
|---|---|---|
| -6.14587 | -31.6605 | 26.6821 |
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 |
| C32 | CE1 | TYR- 29 | 4.35 | 0 | Hydrophobic |
| C33 | CZ | TYR- 29 | 3.86 | 0 | Hydrophobic |
| C27 | CE2 | PHE- 87 | 3.96 | 0 | Hydrophobic |
| C29 | CE2 | PHE- 87 | 4.1 | 0 | Hydrophobic |
| C10 | CZ | PHE- 87 | 3.98 | 0 | Hydrophobic |
| C22 | CB | PRO- 89 | 3.89 | 0 | Hydrophobic |
| C15 | CG | PRO- 89 | 3.53 | 0 | Hydrophobic |
| C15 | CG | PRO- 89 | 3.53 | 0 | Hydrophobic |
| C11 | CG | GLU- 91 | 4.31 | 0 | Hydrophobic |
| C22 | CG | GLU- 91 | 4.5 | 0 | Hydrophobic |
| C4 | CZ | TYR- 96 | 4.38 | 0 | Hydrophobic |
| C27 | CE2 | TYR- 96 | 4.12 | 0 | Hydrophobic |
| O38 | OH | TYR- 96 | 2.64 | 136.64 | H-Bond (Protein Donor) |
| C2 | CG2 | THR- 101 | 4.19 | 0 | Hydrophobic |
| C28 | CG | MET- 184 | 4.26 | 0 | Hydrophobic |
| C28 | CG2 | THR- 185 | 4.4 | 0 | Hydrophobic |
| C32 | CG | PRO- 187 | 4.22 | 0 | Hydrophobic |
| C29 | CD2 | PHE- 193 | 4.39 | 0 | Hydrophobic |
| C27 | CE2 | PHE- 193 | 3.72 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 244 | 4.1 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 247 | 4.46 | 0 | Hydrophobic |
| C6 | CG2 | THR- 252 | 4.12 | 0 | Hydrophobic |
| C8 | CG1 | VAL- 295 | 4.13 | 0 | Hydrophobic |
| C10 | CG2 | ILE- 395 | 3.83 | 0 | Hydrophobic |
| C30 | CD1 | ILE- 395 | 3.74 | 0 | Hydrophobic |
| C32 | CD1 | ILE- 395 | 3.7 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 396 | 3.84 | 0 | Hydrophobic |
| O39 | O | HOH- 788 | 2.85 | 175.54 | H-Bond (Protein Donor) |
