sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2013-02-14
| 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: | 0.000 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.875 | 891.000 |
| % Hydrophobic | % Polar |
|---|---|
| 66.67 | 33.33 |
| According to VolSite | |
| HET Code: | CAM |
|---|---|
| Formula: | C10H16O |
| Molecular weight: | 152.233 g/mol |
| DrugBank ID: | DB01744 |
| Buried Surface Area: | 73.47 % |
| Polar Surface area: | 17.07 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 16.7263 | 0.689455 | -16.9141 |
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 |
| C10 | CZ | PHE- 87 | 3.95 | 0 | Hydrophobic |
| O | OH | TYR- 96 | 2.74 | 162.56 | H-Bond (Protein Donor) |
| C3 | CG2 | THR- 101 | 4.4 | 0 | Hydrophobic |
| C10 | CG2 | THR- 185 | 4.26 | 0 | Hydrophobic |
| C3 | CD1 | LEU- 244 | 3.93 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 244 | 4.06 | 0 | Hydrophobic |
| C10 | CG1 | VAL- 247 | 3.8 | 0 | Hydrophobic |
| C9 | CG2 | THR- 252 | 4.17 | 0 | Hydrophobic |
| C8 | CG1 | VAL- 295 | 3.71 | 0 | Hydrophobic |
| C8 | CB | ASP- 297 | 4.49 | 0 | Hydrophobic |
| C8 | CG2 | ILE- 395 | 4.22 | 0 | Hydrophobic |
| C10 | CG2 | ILE- 395 | 4.23 | 0 | Hydrophobic |
| C9 | CG2 | VAL- 396 | 4.05 | 0 | Hydrophobic |
| C10 | CG2 | VAL- 396 | 4.24 | 0 | Hydrophobic |
