Detail Information

P450 Protein:

P450 Symbol
Protein NameP450DA-M3
Uniprot ID
SpeciesDeinococcus aerius
Txid 200253
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Powered by PDBe Molstar & AlphaFold
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C9H11ClO → C9H11ClO2
Reaction TypeOxidation
Chemical BondCH
SolventsEthanol;Water
Conditions24 h, pH 8.5, 30°C
TransformationsHydroxylation at an Aliphatic Carbon

1-(2-chloroethyl)-4-methoxybenzene

(1S)-2-chloro-1-(4-methoxyphenyl)ethanol

Substrate Information:

Substrate Name 1-(2-chloroethyl)-4-methoxybenzene
Substrate Chemical FormulaC9H11ClO
Substrate PubChem CID87513
Substrate SmilesCOC1=CC=C(C=C1)CCCl
Substrate Structure

Product Information:

Product Name (1S)-2-chloro-1-(4-methoxyphenyl)ethanol
Product Chemical FormulaC9H11ClO2
Product PubChem CID12032045
Product CAS Number186345-06-2
Product SmilesCOC1=CC=C(C=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

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