Detail Information

P450 Protein:

P450 SymbolCYP152A1
Protein NameP450BSβ-L78I/Q85H/G290I mutation
Uniprot ID
SpeciesBacillus 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 C11H13FO2 → C11H13FO3
Reaction TypeOxidation
Chemical BondCH
SolventsEthanol;Polyethylene glycol mono(tert-octylphenyl) ether
Conditions60 min, rt
TransformationsHydroxylation at an Aliphatic Carbon

5-(4-fluorophenyl)pentanoic acid

CYP152A1

(3R)-5-(4-fluorophenyl)-3-hydroxypentanoic acid

Substrate Information:

Substrate Name 5-(4-fluorophenyl)pentanoic acid
Substrate Chemical FormulaC11H13FO2
Substrate PubChem CID2734670
Substrate SmilesC1=CC(=CC=C1CCCCC(=O)O)F
Substrate Structure

Product Information:

Product Name (3R)-5-(4-fluorophenyl)-3-hydroxypentanoic acid
Product Chemical FormulaC11H13FO3
Product PubChem CID68977530
Product CAS Number473988-22-6
Product SmilesC1=CC(=CC=C1CC[C@H](CC(=O)O)O)F
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

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
© Department of Bioinformatics