Detail Information

P450 Protein:

P450 SymbolCYP102A1
Protein NameCytochrome P450BM-3 variant D251G/Q307H
Uniprot ID
SpeciesPriestia megaterium
Txid 1348623
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
RemarksMutations versus WT:D251G/Q307H

Reaction Scheme:

Chemical Conversion C17H19NO3 → C16H19NO3
Reaction TypeHydrolysis
Chemical BondC-O

(2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)-1-(hexahydropyridin-1-yl)penta-2,4-dien-1-one

CYP102A1

(2E,4E)-5-(3,4-dihydroxyphenyl)-1-(hexahydropyridin-1-yl)penta-2,4-dien-1-one

Substrate Information:

Substrate Name (2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)-1-(hexahydropyridin-1-yl)penta-2,4-dien-1-one
Substrate Chemical FormulaC17H19NO3
Substrate SmilesO=C(/C=C/C=C/C1C=C2C(=CC=1)OCO2)N1CCCCC1
Substrate Structure

Product Information:

Product Name (2E,4E)-5-(3,4-dihydroxyphenyl)-1-(hexahydropyridin-1-yl)penta-2,4-dien-1-one
Product Chemical FormulaC16H19NO3
Product SmilesO=C(/C=C/C=C/C1C=C(C(=CC=1)O)O)N1CCCCC1
Product Structure

References:

Title: Biocatalytic production of a monoamine oxidase B/catechol-O-methyltransferase inhibitor from piperine by engineered P450 BM3.
PMID: 40339650
Journal: Journal of Biotechnology
Year: 2025/5/6

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