Detail Information

P450 Protein:

P450 SymbolP450PL2-4
Protein NameCytochrome P450
Uniprot IDA7HP72
SpeciesParvibaculum lavamentivorans
Txid 402881
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 C8H9Cl → C8H9ClO
Reaction TypeOxidation
Chemical BondCH
SolventsEthanol;Water
Conditions8 h, pH 8.5, 35°C
TransformationsHydroxylation at an Aliphatic Carbon

2-chloroethylbenzene

P450PL2-4

(1R)-2-chloro-1-phenylethanol

Substrate Information:

Substrate Name 2-chloroethylbenzene
Substrate Chemical FormulaC8H9Cl
Substrate PubChem CID231496
Substrate SmilesC1=CC=C(C=C1)CCCl
Substrate Structure

Product Information:

Product Name (1R)-2-chloro-1-phenylethanol
Product Chemical FormulaC8H9ClO
Product PubChem CID7018857
Product CAS Number56751-12-3
Product SmilesC1=CC=C(C=C1)[C@H](CCl)O
Product Structure

References:

Title: Cascade bio-hydroxylation and dehalogenation for one-pot enantioselective synthesis of optically active β-halohydrins from halohydrocarbons
DOI: https://doi.org/10.1039/C9GC01802F
Journal: Green Chemistry
Year: 2019/7/17

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