Detail Information
P450 Protein:
| P450 Symbol | CYP152A1 |
| Protein Name | P450BSβ-L78I/Q85H/G290I mutation |
| Uniprot ID | |
| Species | Bacillus subtilis (strain 168) |
| 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 | C9H16O4 → C9H16O5 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Ethanol;Polyethylene glycol mono(tert-octylphenyl) ether |
| Conditions | 60 min, rt |
| Transformations | Hydroxylation at an Aliphatic Carbon |
CYP152A1
Substrate Information:
| Substrate Name | 8-methoxy-8-oxooctanoic acid |
| Substrate Chemical Formula | C9H16O4 |
| Substrate PubChem CID | 554191 |
| Substrate Smiles | COC(=O)CCCCCCC(=O)O |
| Substrate Structure |
Product Information:
| Product Name | (3R)-3-hydroxy-8-methoxy-8-oxooctanoic acid |
| Product Chemical Formula | C9H16O5 |
| Product PubChem CID | 57296264 |
| Product CAS Number | 647831-62-7 |
| Product Smiles | COC(=O)CCCC[C@H](CC(=O)O)O |
| Product Structure |
References:
| Title: | Biocatalytic Enantioselective β-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids. |
| PMID: | 35536725 |
| Journal: | Angewandte Chemie, International Edition |
| Year: | 2022/5/10 |