Detail Information

P450 Protein:

P450 SymbolCYP102A1
Protein NameP450BM3 A74G/F87V/L188Q triple mutant
Uniprot ID
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
RemarksMutations versus WT: A74G/F87V/L188Q

Reaction Scheme:

Chemical Conversion C14H28O → C14H28O2 + (4R,6R,8S)-10-Hydroxy-4,6,8-trimethyl-2-undecanone
Reaction TypeOxidation
Chemical BondCH
SolventsDimethyl sulfoxide, Water
ConditionspH 7.5, rt
Transformations1. Hydroxylation at an Aliphatic Carbon

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

CYP102A1

(4R,6S,8S)-9-Hydroxy-4,6,8-trimethyl-2-undecanone

+

(4R,6R,8S)-10-Hydroxy-4,6,8-trimethyl-2-undecanone

Substrate Information:

Substrate Name (4R,6R,8R)-4,6,8-Trimethyl-2-undecanone
Substrate Chemical FormulaC14H28O
Substrate PubChem CID11095932
Substrate SmilesO=C(C)CC(C)CC(C)CC(C)CCC
Substrate Structure

Product Information:

Product Name (4R,6S,8S)-9-Hydroxy-4,6,8-trimethyl-2-undecanone
Product Chemical FormulaC14H28O2
Product CAS Number911819-56-2
Product SmilesO=C(C)CC(C)CC(C)CC(C)C(O)CC
Product Structure
Product Name (4R,6R,8S)-10-Hydroxy-4,6,8-trimethyl-2-undecanone
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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