Detail Information

P450 Protein:

P450 SymbolflvD
Protein NameCytochrome P450 monooxygenase flvD (EC 1.-.-.-) (Flavunoidine biosynthesis cluster protein D)
Uniprot IDB8NHD9
EC Number1.-.-.-
SpeciesAspergillus flavus (strain ATCC 200026 / FGSC A1120 / IAM 13836 / NRRL 3357 / JCM 12722 / SRRC 167)
Txid 332952
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C15H24 + C17H21N4O9P-2 + O2 → C15H23O+ + C17H18N4O9P-3 + H2O + H+
Reaction TypeOxidation
Chemical BondCH
RheaID 77075

(1R,4R,5S)-acoradiene

+

FMNH2

+

O2

flvD

2,6,9-trimethyl-13-oxatetracyclo[6.3.1.1(6,9).0(1,5)]tridecane carbocation

+

FMN

+

H2O

+

H+

Substrate Information:

Substrate Name (1R,4R,5S)-acoradiene
Substrate Chemical FormulaC15H24
Substrate PubChem CID13743810
Substrate SmilesC[C@@H]1CC[C@@H]([C@]12CCC(=CC2)C)C(=C)C
Substrate Structure
Substrate Name FMNH2
Substrate Chemical FormulaC17H21N4O9P-2
Substrate PubChem CID44229161
Substrate SmilesCC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
Substrate Structure
Substrate Name O2
Substrate Chemical FormulaO2
Substrate PubChem CID977
Substrate CAS Number7782-44-7
Substrate SmilesO=O
Substrate Structure

Product Information:

Product Name 2,6,9-trimethyl-13-oxatetracyclo[6.3.1.1(6,9).0(1,5)]tridecane carbocation
Product Chemical FormulaC15H23O+
Product PubChem CID168475472
Product SmilesCC1CCC2C13CCC4(C(C3)[CH+]C2(O4)C)C
Product Structure
Product Name FMN
Product Chemical FormulaC17H18N4O9P-3
Product PubChem CID44229199
Product SmilesCC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
Product Structure
Product Name H2O
Product Chemical FormulaH2O
Product PubChem CID962
Product CAS Number7732-18-5
Product SmilesO
Product Structure
Product Name H+
Product Chemical FormulaH+
Product PubChem CID1038
Product CAS Number12408-02-5
Product Smiles[H+]
Product Structure

References:

Title: Genome Sequence of Aspergillus flavus NRRL 3357, a Strain That Causes Aflatoxin Contamination of Food and Feed.
PMID: 25883274
Journal: Journal of the American Chemical Society
Year: 2020/1/15
Title: Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway.
PMID: 31885262
Journal: Genome announcements
Year: 2015/4/16

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