Detail Information

P450 Protein:

P450 SymbolCYP102A1
Protein NameBifunctional cytochrome P450/NADPH--P450 reductase
Uniprot IDP14779
EC Number1.14.14.1
Gene ID 93643681
SpeciesPriestia megaterium (strain ATCC 14581 / DSM 32 / CCUG 1817 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512 / Ford 19)
Txid 1348623
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C13H28O → C13H28O2
Reaction TypeOxidation
Chemical BondCH
SolventsDimethyl sulfoxide, Water
ConditionspH 7.5, rt
Transformations1. Hydroxylation at an Aliphatic Carbon

(2R,4R,6R,8R)-4,6,8-Trimethyl-2-decanol

CYP102A1

(3S,5S,7R,9R)-3,5,7-Trimethyl-2,9-decanediol

Substrate Information:

Substrate Name (2R,4R,6R,8R)-4,6,8-Trimethyl-2-decanol
Substrate Chemical FormulaC13H28O
Substrate PubChem CID11063460
Substrate SmilesOC(C)CC(C)CC(C)CC(C)CC
Substrate Structure

Product Information:

Product Name (3S,5S,7R,9R)-3,5,7-Trimethyl-2,9-decanediol
Product Chemical FormulaC13H28O2
Product CAS Number1101887-04-0
Product SmilesOC(C)CC(C)CC(C)CC(C)C(O)C
Product Structure

References:

Title: Selective hydroxylation of highly branched fatty acids and their derivatives by CYP102A1 from Bacillus megaterium.
PMID: 16566047
Journal: ChemBioChem (2006)
Year: 2006/4/26

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
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