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)
Powered by PDBe Molstar & AlphaFold
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C15H32O → C15H32O2 + C15H32O2
Reaction TypeOxidation
Chemical BondCH
SolventsDimethyl sulfoxide, Water
ConditionspH 7.5, rt
Transformations1. Hydroxylation at an Aliphatic Carbon

(2R,4R,6R,8R)-2,4,6,8-Tetramethyl-1-undecanol

CYP102A1

(2R,4R,6S,8S)-2,4,6,8-Tetramethyl-1,9-undecanediol

+

(2R,4R,6S,8S)-2,4,6,8-Tetramethyl-1,10-undecanediol

Substrate Information:

Substrate Name (2R,4R,6R,8R)-2,4,6,8-Tetramethyl-1-undecanol
Substrate Chemical FormulaC15H32O
Substrate PubChem CID101663410
Substrate SmilesOCC(C)CC(C)CC(C)CC(C)CCC
Substrate Structure

Product Information:

Product Name (2R,4R,6S,8S)-2,4,6,8-Tetramethyl-1,9-undecanediol
Product Chemical FormulaC15H32O2
Product CAS Number911819-52-8
Product SmilesOCC(C)CC(C)CC(C)CC(C)C(O)CC
Product Structure
Product Name (2R,4R,6S,8S)-2,4,6,8-Tetramethyl-1,10-undecanediol
Product Chemical FormulaC15H32O2
Product CAS Number911819-51-7
Product SmilesOCC(C)CC(C)CC(C)CC(C)CC(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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