Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450BM3 V78A/F87A variant |
| Uniprot ID | |
| Species | Bacillus megaterium |
| Txid | 1348623 |
| 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-CH3 |
| Solvents | Methanol;Water |
| Conditions | 30 min, pH 8, rt |
CYP102A1
Substrate Information:
| Substrate Name | Methylsulfanylbenzene |
| 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: | P450BM3-Catalyzed Oxidations Employing Dual Functional Small Molecules |
| DOI: | https://doi.org/10.3390/catal9070567 |
| Journal: | Catalysts |
| Year: | 2019/6/26 |