Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450 BM3 mutants B35(His138Tyr) |
| Uniprot ID | |
| Species | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512) |
| 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 | C9H7F3 → C9H7F3O |
| Reaction Type | Oxidation |
| Chemical Bond | C=C |
| Solvents | Water |
| Conditions | 30°C |
| Transformations | Oxidation of Alkenes to Aldehydes and Ketones/ Wacker Process |
CYP102A1
Substrate Information:
| Substrate Name | 1-ethenyl-4-(trifluoromethyl)benzene |
| Substrate Chemical Formula | C9H7F3 |
| Substrate PubChem CID | 2782798 |
| Substrate Smiles | C=CC1=CC=C(C=C1)C(F)(F)F |
| Substrate Structure |
Product Information:
| Product Name | 2-[4-(trifluoromethyl)phenyl]acetaldehyde |
| Product Chemical Formula | C9H7F3O |
| Product PubChem CID | 14298210 |
| Product CAS Number | 30934-62-4 |
| Product Smiles | C1=CC(=CC=C1CC=O)C(F)(F)F |
| Product Structure |
References:
| Title: | Cytochrome P450 Enzyme Mutant and Application Thereof |
| Patent ID: | WO2022151611 |
| Journal: | |
| Year: | 2022/7/21 |