Detail Information

P450 Protein:

P450 SymbolCYP176A1
Protein Name1,8-cineole 2-endo-monooxygenase
Uniprot IDQ8VQF6
EC Number1.14.14.133
SpeciesCitrobacter braakii
Txid 57706
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 C10H16S → C10H16OS
Reaction TypeOxidation
Chemical BondS

(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione

CYP176A1

(1R,4R)-1,7,7-trimethyl-2-sulfinylbicyclo[2.2.1]heptane

Substrate Information:

Substrate Name (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
Substrate Chemical FormulaC10H16S
Substrate PubChem CID1714210
Substrate SmilesC[C@@]12C(C)(C)[C@@](CC1=S)(CC2)[H]
Substrate Structure

Product Information:

Product Name (1R,4R)-1,7,7-trimethyl-2-sulfinylbicyclo[2.2.1]heptane
Product Chemical FormulaC10H16OS
Product PubChem CID12859501
Product CAS Number59121-52-7
Product SmilesC[C@@]12CC[C@@H](C1(C)C)CC2=S=O
Product Structure

References:

Title: Significance of Protein-Substrate Hydrogen Bonding for the Selectivity of P450-Catalysed Oxidations.
PMID: 30645781
Journal: Chemistry - A European Journal
Year: 2019/1/15

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