Detail Information

P450 Protein:

P450 SymbolCYP102A1
Protein NameP450 BM3 variant G5
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:V78A;F87I;P142S;T175I;A184V;F205C;S226R;H236Q;E252G;R255S;A290V;L353V

Reaction Scheme:

Chemical Conversion C10H16O4 → C9H14O4
Reaction TypeOxidation
Chemical BondCH2
SolventsDimethyl sulfoxide, Water
Conditions48 h, pH 8.0, 4°C

(3aR,4S,5R,6aS)-Hexahydro-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one

CYP102A1

(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one

Substrate Information:

Substrate Name (3aR,4S,5R,6aS)-Hexahydro-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one
Substrate Chemical FormulaC10H16O4
Substrate PubChem CID25020818
Substrate Smiles[C@@H]12[C@@H](COC)[C@H](OC)C[C@@H]1OC(=O)C2
Substrate Structure

Product Information:

Product Name (3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one
Product Chemical FormulaC9H14O4
Product PubChem CID25020819
Product CAS Number1101874-05-8
Product Smiles[C@@H]12[C@@H](CO)[C@H](OC)C[C@@H]1OC(=O)C2
Product Structure

References:

Title: Chemo-enzymatic fluorination of unactivated organic compounds.
PMID: 19011638
Journal: Nature Chemical Biology (2009)
Year: 2008/11/16

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