Detail Information
P450 Protein:
| P450 Symbol | |
| Protein Name | TxtE–BM3R self-sufficient nitration biocatalyst TB13-Q |
| Uniprot ID | |
| Species | Streptomyces sp. V2 |
| Txid | 1424099 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
| Remarks | A fusion protein consisting of the TxtE P450 domain, a 13-amino-acid linker peptide EQSAKKVRKKAEN, and the CYP102A1 (P450 BM3) reductase domain. |
Reaction Scheme:
| Chemical Conversion | C14H18N2O2S → C14H17N3O4S |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | 30 min, pH 8, 20°C |
| Transformations | Nitration of Aromatic Compounds |
Substrate Information:
| Substrate Name | Tryptophan, 2,1-dimethyl-4-(methylthio)- (ACI) |
| Substrate Chemical Formula | C14H18N2O2S |
| Substrate PubChem CID | 122499645 |
| Substrate Smiles | O=C(O)C(N)CC=1C=2C(SC)=CC=CC2N(C1C)C |
| Substrate Structure |
Product Information:
| Product Name | Tryptophan, 1,2-dimethyl-4-(methylthio)-7-nitro- (ACI) |
| Product Chemical Formula | C14H17N3O4S |
| Product PubChem CID | 122473656 |
| Product CAS Number | 1989668-14-5 |
| Product Smiles | O=C(O)C(N)CC=1C=2C(SC)=CC=C(C2N(C1C)C)N(=O)=O |
| Product Structure |
References:
| Title: | Artificial Self-Sufficient Cytochrome P450s |
| Patent ID: | WO2016134145 |
| Journal: | |
| Year: | 2016/8/25 |