Detail Information
P450 Protein:
| P450 Symbol | CYP152A1 |
| Protein Name | Fatty-acid peroxygenase |
| Uniprot ID | O31440 |
| EC Number | 1.11.2.4 |
| Gene ID | 938449 |
| Species | Bacillus subtilis (Beta subtype) |
| Txid | 224308 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C7H8S → C7H8OS |
| Reaction Type | Oxidation |
| Chemical Bond | S |
| Solvents | Ethanol,Water |
| Conditions | 1 min, pH 7, 25°C |
| Transformations | Oxidation of Thioethers to Sulfoxides and Sulfones |
CYP152A1
Substrate Information:
| Substrate Name | Thioanisole |
| Substrate Chemical Formula | C7H8S |
| Substrate PubChem CID | 7520 |
| Substrate Smiles | CSC1=CC=CC=C1 |
| Substrate Structure |
Product Information:
| Product Name | (S)-(Methylsulfinyl)benzene |
| Product Chemical Formula | C7H8OS |
| Product PubChem CID | 11040784 |
| Product CAS Number | 18453-46-8 |
| Product Smiles | C[S@](=O)C1=CC=CC=C1 |
| Product Structure |
References:
| Title: | Non-covalent modification of the active site of cytochrome P450 for inverting the stereoselectivity of monooxygenation |
| DOI: | https://doi.org/10.1016/j.tetlet.2010.11.048 |
| Journal: | Tetrahedron Letters |
| Year: | 2011/1/19 |