Detail Information

P450 Protein:

P450 SymbolCYP106A1
Protein NameCytochrome P450
Uniprot IDD5DF35
SpeciesBacillus megaterium DSM319
Txid 592022
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 C21H28O5 + C21H26N7O17P3-4 + H+ → C21H28O6 + C21H26N7O17P3-4
Reaction TypeOxidation
Chemical BondCH;C-OH;C=C

Prednisolone

+

NADPH(4-)

+

H+

CYP106A1

1,2-Dihydro-15Beta-hydroxyprednisone

+

NADPH(4-)

Substrate Information:

Substrate Name Prednisolone
Substrate Chemical FormulaC21H28O5
Substrate PubChem CID5755
Substrate SmilesC[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Substrate Structure
Substrate Name NADPH(4-)
Substrate Chemical FormulaC21H26N7O17P3-4
Substrate PubChem CID15983949
Substrate SmilesC1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O
Substrate Structure
Substrate Name H+
Substrate Chemical FormulaH+
Substrate PubChem CID1038
Substrate CAS Number12408-02-5
Substrate Smiles[H+]
Substrate Structure

Product Information:

Product Name 1,2-Dihydro-15Beta-hydroxyprednisone
Product Chemical FormulaC21H28O6
Product SmilesC1C[C@@](C)2[C@]([H])3C(=O)C[C@@](C)4[C@](C(=O)CO)(O)C[C@H](O)[C@@]4([H])[C@]3([H])CCC2=CC1=O
Product Structure
Product Name NADPH(4-)
Product Chemical FormulaC21H26N7O17P3-4
Product PubChem CID15983949
Product SmilesC1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O
Product Structure

References:

Title: Identification of new substrates for the CYP106A1-mediated 11-oxidation and investigation of the reaction mechanism.
PMID: 26188546
Journal: FEBS Letters
Year: 2015/8/19

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