Detail Information
P450 Protein:
| P450 Symbol | |
| Protein Name | TxtE–BM3R self-sufficient nitration biocatalyst TB14 |
| Uniprot ID | |
| Species | Priestia megaterium |
| Txid | 1348623 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | This self-sufficient fusion enzyme consists of the TxtE nitrating P450 domain, a linker peptide, and the P450 BM3 reductase domain. |
Reaction Scheme:
| Chemical Conversion | C12H13BrN2O2 → C12H12BrN3O4 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | 45 min, pH 8, 20°C |
| Transformations | Nitration of Aromatic Compounds |
Substrate Information:
| Substrate Name | 2-amino-3-(5-bromo-1-methylindol-3-yl)propanoic acid |
| Substrate Chemical Formula | C12H13BrN2O2 |
| Substrate PubChem CID | 83763812 |
| Substrate Smiles | CN1C=C(C2=C1C=CC(=C2)Br)CC(C(=O)O)N |
| Substrate Structure |
Product Information:
| Product Name | 2-amino-3-(5-bromo-1-methyl-4-nitroindol-3-yl)propanoic acid |
| Product Chemical Formula | C12H12BrN3O4 |
| Product PubChem CID | 122473820 |
| Product CAS Number | 1989666-45-6 |
| Product Smiles | CN1C=C(C2=C1C=CC(=C2[N+](=O)[O-])Br)CC(C(=O)O)N |
| Product Structure |
References:
| Title: | Highly Active Self-Sufficient Nitration Biocatalysts |
| Patent ID: | WO2018081456 |
| Journal: | |
| Year: | 2018/5/3 |