Detail Information

P450 Protein:

P450 SymbolCYP71A1
Protein Name
Uniprot ID
SpeciesAconitum coreanum
Txid 85363
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 C20H32 → C20H28O3
Reaction TypeOxidation
Chemical BondCH

(4R,9R,10R)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane

CYP71A1

(4R,5R,9S,12R,18R)-5-(hydroxymethyl)-5-methyl-17-methylidene-11-oxapentacyclo[11.2.2.11,9.012,18.04,9]octadecan-10-one

Substrate Information:

Substrate Name (4R,9R,10R)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
Substrate Chemical FormulaC20H32
Substrate PubChem CID129626773
Substrate SmilesC[C@@]12CCCC([C@H]1CCC34[C@H]2CC(CC3)C(=C)C4)(C)C
Substrate Structure

Product Information:

Product Name (4R,5R,9S,12R,18R)-5-(hydroxymethyl)-5-methyl-17-methylidene-11-oxapentacyclo[11.2.2.11,9.012,18.04,9]octadecan-10-one
Product Chemical FormulaC20H28O3
Product Smiles[C@]([H])12[C@@](CCC[C@@]1(C)CO)1C(O[C@H]3[C@]1([H])C1(CCC3C(=C)C1)CC2)=O
Product Structure

References:

Title: Divergent multifunctional P450s-empowered biosynthesis of bioactive?tripterifordin and cryptic atiserenoids in Aconitum implies convergent evolution.
PMID: 40595667
Journal: Nature communications
Year: 2025/7/1

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
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