Detail Information
P450 Protein:
| P450 Symbol | |
| Protein Name | P450DA-M3 |
| Uniprot ID | |
| Species | Deinococcus aerius |
| Txid | 200253 |
| 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 | C9H11Cl → C9H11ClO |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Ethanol;Water |
| Conditions | 24 h, pH 8.5, 30°C |
| Transformations | Hydroxylation at an Aliphatic Carbon |
Substrate Information:
| Substrate Name | 1-(2-chloroethyl)-3-methylbenzene |
| Substrate Chemical Formula | C9H11Cl |
| Substrate PubChem CID | 21760959 |
| Substrate Smiles | CC1=CC(=CC=C1)CCCl |
| Substrate Structure |
Product Information:
| Product Name | (1S)-2-chloro-1-(3-methylphenyl)ethanol |
| Product Chemical Formula | C9H11ClO |
| Product PubChem CID | 68843669 |
| Product CAS Number | 439807-11-1 |
| Product Smiles | CC1=CC(=CC=C1)[C@@H](CCl)O |
| Product Structure |
References:
| Title: | Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation |
| DOI: | https://doi.org/10.1039/D2CY00164K |
| Journal: | Catalysis Science & Technology |
| Year: | 2022/8/11 |