Detail Information

P450 Protein:

P450 SymbolCYP102A1
Protein NameP450BM3 variant 1857 V328A
Uniprot ID
SpeciesBacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512)
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

Reaction Scheme:

Chemical Conversion C16H26O2 → C16H26O3
Reaction TypeOxidation
Chemical BondCH2
Conditions20 h, 20°C
TransformationsHydroxylation at an Aliphatic Carbon

(+)-Sclareolide

CYP102A1

(3aR,5aR,7S,9aS,9bR)-7-hydroxy-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one

Substrate Information:

Substrate Name (+)-Sclareolide
Substrate Chemical FormulaC16H26O2
Substrate PubChem CID929262
Substrate SmilesC1C[C@@](C)2[C@H]3CC(=O)O[C@]3(C)CC[C@@]2([H])[C@@](C)(C)C1
Substrate Structure

Product Information:

Product Name (3aR,5aR,7S,9aS,9bR)-7-hydroxy-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one
Product Chemical FormulaC16H26O3
Product PubChem CID12993406
Product SmilesC1C[C@@](C)2[C@H]3CC(=O)O[C@]3(C)CC[C@@]2([H])[C@@](C)(C)[C@H]1O
Product Structure

References:

Title: Merging chemoenzymatic and radical-based retrosynthetic logic for rapid and modular synthesis of oxidized meroterpenoids.
PMID: 31959962
Journal: Nature Chemistry
Year: 2020/1/20

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