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 LocationCytoplasm
Protein Sequence GO
RemarksMutations versus WT: A74G/F87V/L188Q

Reaction Scheme:

Chemical Conversion C14H30O → C14H30O2 + C14H30O2
Reaction TypeOxidation
Chemical BondCH
SolventsWater
Conditions8 h, pH 7.5, rt
Transformations1. Hydroxylation at an Aliphatic Carbon

(2r,4r,6r,8r)-2,4,6,8-Tetramethyldecan-1-ol

CYP102A1

(2R,4R,6S,8S,9S)-2,4,6,8-tetramethyldecane-1,9-diol

+

(2R,4R,6S,8S,9R)-2,4,6,8-tetramethyldecane-1,9-diol

Substrate Information:

Substrate Name (2r,4r,6r,8r)-2,4,6,8-Tetramethyldecan-1-ol
Substrate Chemical FormulaC14H30O
Substrate PubChem CID11694210
Substrate SmilesOCC(C)CC(C)CC(C)CC(C)CC
Substrate Structure

Product Information:

Product Name (2R,4R,6S,8S,9S)-2,4,6,8-tetramethyldecane-1,9-diol
Product Chemical FormulaC14H30O2
Product PubChem CID102321444
Product CAS Number1005517-17-8
Product SmilesC[C@H](C[C@H](C)C[C@H](C)[C@H](C)O)C[C@@H](C)CO
Product Structure
Product Name (2R,4R,6S,8S,9R)-2,4,6,8-tetramethyldecane-1,9-diol
Product Chemical FormulaC14H30O2
Product PubChem CID16738486
Product CAS Number1005517-16-7
Product SmilesC[C@H](C[C@H](C)C[C@H](C)[C@@H](C)O)C[C@@H](C)CO
Product Structure

References:

Title: Hydroxylation of dodecanoic acid and (2R,4R,6R,8R)-tetramethyldecanol on a preparative scale using an NADH-dependent CYP102A1 mutant
DOI: https://doi.org/10.1002/adsc.200700054
Journal: Advanced Synthesis & Catalysis (2007)
Year: 2007/6/4

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