Detail Information

P450 Protein:

P450 SymbolCYP102A1
Protein NameP450BM3 A74G/L188Q variant
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 C10H16 → C10H18O2
Reaction TypeOxidation
Chemical BondCH
SolventsDimethyl sulfoxide;Water
Conditions22 h, 30°C

(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

CYP102A1

rel-(1R,5S)-5-Hydroxy-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol

Substrate Information:

Substrate Name (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Substrate Chemical FormulaC10H16
Substrate PubChem CID440968
Substrate SmilesCC1=CC[C@H]2C[C@@H]1C2(C)C
Substrate Structure

Product Information:

Product Name rel-(1R,5S)-5-Hydroxy-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol
Product Chemical FormulaC10H18O2
Product CAS Number42370-41-2
Product Smiles[C@@](C)(C)(O)[C@H]1C[C@H](O)C(C)=CC1
Product Structure

References:

Title: Chemo-enzymatic pathways toward pinene-based renewable materials
DOI: https://doi.org/10.1039/C9GC00718K
Journal: Green Chemistry
Year: 2019/4/10

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