Detail Information

P450 Protein:

P450 SymbolCYP154E1
Protein NameCytochrome P450-family protein
Uniprot IDQ47KL3
SpeciesThermobifida fusca (strain YX)
Txid 269800
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 C18H32O → C18H32O2
Reaction TypeOxidation
Chemical BondCH
SolventsDimethyl sulfoxide;Water
Conditions24 h, pH 7.5, 25°C
TransformationsHydroxylation at an Aliphatic Carbon

(1R,3aR,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-one

CYP154E1

5′-HydroxyGrundmann′s ketone

Substrate Information:

Substrate Name (1R,3aR,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-one
Substrate Chemical FormulaC18H32O
Substrate PubChem CID10587733
Substrate SmilesC[C@@]12[C@@]([C@@H](CCCC(C)C)C)(CC[C@]1(C(=O)CCC2)[H])[H]
Substrate Structure

Product Information:

Product Name 5′-HydroxyGrundmann′s ketone
Product Chemical FormulaC18H32O2
Product PubChem CID9903833
Product CAS Number70550-73-1
Product SmilesC[C@@]12[C@@]([C@@H](CCCC(C)(C)O)C)(CC[C@]1(C(=O)CCC2)[H])[H]
Product Structure

References:

Title: Whole-cell biotransformation with recombinant cytochrome P450 for the selective oxidation of Grundmann's ketone.
PMID: 25023538
Journal: Bioorganic & Medicinal Chemistry
Year: 2014/10/15

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