Detail Information
P450 Protein:
| P450 Symbol | AetB |
| Protein Name | Cytochrome P450 AetB |
| Uniprot ID | A0A861B5L6 |
| Species | Aetokthonos hydrillicola Thurmond2011 |
| Txid | 2712845 |
| 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 | C9H4Br2N2 + C8H4Br3N → C17H6Br5N3 |
| Reaction Type | Organic coupling |
| Chemical Bond | NH |
| Solvents | Water |
| Conditions | overnight, pH 7.5, rt |
+
AetB
Substrate Information:
| Substrate Name | 5,7-dibromo-1H-indole-3-carbonitrile |
| Substrate Chemical Formula | C9H4Br2N2 |
| Substrate PubChem CID | 171935627 |
| Substrate Smiles | C1=C(C=C(C2=C1C(=CN2)C#N)Br)Br |
| Substrate Structure |
| Substrate Name | 2,3,5-tribromo-1H-indole |
| Substrate Chemical Formula | C8H4Br3N |
| Substrate PubChem CID | 11995507 |
| Substrate CAS Number | 918529-97-2 |
| Substrate Smiles | C1=CC2=C(C=C1Br)C(=C(N2)Br)Br |
| Substrate Structure |
Product Information:
| Product Name | 5,7-dibromo-2-(2,3,5-tribromoindol-1-yl)-1H-indole-3-carbonitrile |
| Product Chemical Formula | C17H6Br5N3 |
| Product PubChem CID | 155818808 |
| Product CAS Number | 2765729-29-9 |
| Product Smiles | C1=CC2=C(C=C1Br)C(=C(N2C3=C(C4=C(N3)C(=CC(=C4)Br)Br)C#N)Br)Br |
| Product Structure |
References:
| Title: | From Tryptophan to Toxin: Nature's Convergent Biosynthetic Strategy to Aetokthonotoxin. |
| PMID: | 35142504 |
| Journal: | Journal of the American Chemical Society |
| Year: | 2022/2/10 |