sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 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: | 32.440 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.310 | 1522.125 |
| % Hydrophobic | % Polar |
|---|---|
| 58.76 | 41.24 |
| According to VolSite | |
| HET Code: | ETG |
|---|---|
| Formula: | C29H41N3O5S |
| Molecular weight: | 543.718 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 51.4 % |
| Polar Surface area: | 105.35 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 2 |
| Rings: | 6 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 13 |
| X | Y | Z |
|---|---|---|
| 6.02279 | -31.7346 | -26.9687 |
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 |
| C7 | CZ | PHE- 87 | 4.05 | 0 | Hydrophobic |
| C23 | CG | PRO- 89 | 3.87 | 0 | Hydrophobic |
| C15 | CG | PRO- 89 | 3.48 | 0 | Hydrophobic |
| C15 | CG | PRO- 89 | 3.48 | 0 | Hydrophobic |
| C33 | CB | ALA- 92 | 4.39 | 0 | Hydrophobic |
| C7 | CZ | TYR- 96 | 4.49 | 0 | Hydrophobic |
| O38 | OH | TYR- 96 | 2.64 | 131.51 | H-Bond (Protein Donor) |
| C5 | CG2 | THR- 101 | 4.21 | 0 | Hydrophobic |
| C27 | CE | MET- 184 | 3.72 | 0 | Hydrophobic |
| C27 | CG2 | THR- 185 | 3.42 | 0 | Hydrophobic |
| C27 | CE2 | PHE- 193 | 4.16 | 0 | Hydrophobic |
| C30 | CE2 | PHE- 193 | 3.78 | 0 | Hydrophobic |
| C33 | CD2 | PHE- 193 | 3.65 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 244 | 4.08 | 0 | Hydrophobic |
| C3 | CG2 | THR- 252 | 3.68 | 0 | Hydrophobic |
| C2 | CG1 | VAL- 295 | 3.87 | 0 | Hydrophobic |
| C32 | CD1 | ILE- 395 | 4.41 | 0 | Hydrophobic |
| C4 | CG2 | ILE- 395 | 3.84 | 0 | Hydrophobic |
| C29 | CD1 | ILE- 395 | 4.09 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 396 | 3.85 | 0 | Hydrophobic |
