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 | C12H13ClN2O → C12H12ClN3O4 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | 45 min, pH 8, 20°C |
| Transformations | Nitration of Aromatic Compounds;Oxidation of Aldehydes to Carboxylic Acids |
Substrate Information:
| Substrate Name | alpha-Amino-5-chloro-2-methyl-1H-indole-3-propanal |
| Substrate Chemical Formula | C12H13ClN2O |
| Substrate Smiles | O=CC(N)CC=1C=2C=C(Cl)C=CC2NC1C |
| Substrate Structure |
Product Information:
| Product Name | 5-Chloro-2-methyl-4-nitrotryptophan |
| Product Chemical Formula | C12H12ClN3O4 |
| Product PubChem CID | 122473836 |
| Product CAS Number | 1989667-13-1 |
| Product Smiles | O=C(O)C(N)CC=1C=2C(=CC=C(Cl)C2N(=O)=O)NC1C |
| Product Structure |
References:
| Title: | Highly Active Self-Sufficient Nitration Biocatalysts |
| Patent ID: | WO2018081456 |
| Journal: | |
| Year: | 2018/5/3 |