Detail Information

P450 Protein:

P450 SymbolCYP101B1
Protein Namecytochrome P450 monooxygenase enzyme CYP101B1
Uniprot ID
SpeciesNovosphingobium aromaticivorans DSM12444
Txid 279238
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 C10H14 → C10H14O + C10H14O
Reaction TypeOxidation
Chemical BondCH
SolventsWater
ConditionspH 7.4
TransformationsHydroxylation at an Aliphatic Carbon

Benzene, 1-methyl-4-(1-methylethyl)- (9CI, ACI)

CYP101B1

Benzenemethanol,alpha,alpha,4-trimethyl-(9CI, ACI)

+

Benzenemethanol, 4-(1-methylethyl)- (9CI, ACI)

Substrate Information:

Substrate Name Benzene, 1-methyl-4-(1-methylethyl)- (9CI, ACI)
Substrate Chemical FormulaC10H14
Substrate PubChem CID7463
Substrate SmilesC=1C=C(C=CC1C)C(C)C
Substrate Structure

Product Information:

Product Name Benzenemethanol,alpha,alpha,4-trimethyl-(9CI, ACI)
Product Chemical FormulaC10H14O
Product PubChem CID14529
Product CAS Number1197-01-9
Product SmilesOC(C1=CC=C(C=C1)C)(C)C
Product Structure
Product Name Benzenemethanol, 4-(1-methylethyl)- (9CI, ACI)
Product Chemical FormulaC10H14O
Product PubChem CID325
Product CAS Number536-60-7
Product SmilesOCC1=CC=C(C=C1)C(C)C
Product Structure

References:

Title: The selective oxidation of substituted aromatic hydrocarbons and the observation of uncoupling via redox cycling during naphthalene oxidation by the CYP101B1 system
DOI: https://doi.org/10.1039/C7CY00088J
Journal: Catalysis Science & Technology
Year: 2017/3/10

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