Detail Information

P450 Protein:

P450 Symbol
Protein NameTxtE–BM3R self-sufficient nitration biocatalyst TB14
Uniprot ID
SpeciesPriestia megaterium
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
RemarksThis self-sufficient fusion enzyme consists of the TxtE nitrating P450 domain, a linker peptide, and the P450 BM3 reductase domain.

Reaction Scheme:

Chemical Conversion C18H19N3O2 → C18H18N4O4
Reaction TypeOxidation
Chemical BondCH
SolventsWater
Conditions45 min, pH 8, 20°C
TransformationsNitration of Aromatic Compounds

1,2-Dimethyl-7-(4-pyridinyl)tryptophan

1,2-Dimethyl-4-nitro-7-(4-pyridinyl)tryptophan

Substrate Information:

Substrate Name 1,2-Dimethyl-7-(4-pyridinyl)tryptophan
Substrate Chemical FormulaC18H19N3O2
Substrate PubChem CID122499633
Substrate SmilesO=C(O)C(N)CC=1C=2C=CC=C(C=3C=CN=CC3)C2N(C1C)C
Substrate Structure

Product Information:

Product Name 1,2-Dimethyl-4-nitro-7-(4-pyridinyl)tryptophan
Product Chemical FormulaC18H18N4O4
Product PubChem CID122473735
Product CAS Number1989668-17-8
Product SmilesO=C(O)C(N)CC=1C=2C(=CC=C(C=3C=CN=CC3)C2N(C1C)C)N(=O)=O
Product Structure

References:

Title: Highly Active Self-Sufficient Nitration Biocatalysts
Patent ID: WO2018081456
Journal:
Year: 2018/5/3

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