Detail Information
P450 Protein:
| P450 Symbol | P450TbtJ1 |
| Protein Name | Engineering cytochrome P450 |
| Uniprot ID | |
| Species | Thermobispora bispora DSM 43833 |
| Txid | 469371 |
| 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 | C10H12N2O3S + C4H6N2O2 → C14H18N2O5S + N2 |
| Reaction Type | Oxidation |
| Chemical Bond | |
| Solvents | Water |
| Conditions | 16 h, pH 8, rt |
| Transformations | 1,3-Dipolar Addition |
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P450TbtJ1
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Substrate Information:
| Substrate Name | Ethyl 2-(1-acetamidoethenyl)-1,3-thiazole-4-carboxylate |
| Substrate Chemical Formula | C10H12N2O3S |
| Substrate PubChem CID | 134867546 |
| Substrate Smiles | O=C(OCC)C=1N=C(SC1)C(=C)NC(=O)C |
| Substrate Structure |
| Substrate Name | Ethyl diazoacetate |
| Substrate Chemical Formula | C4H6N2O2 |
| Substrate PubChem CID | 12192 |
| Substrate CAS Number | 623-73-4 |
| Substrate Smiles | [N-]=[N+]=CC(=O)OCC |
| Substrate Structure |
Product Information:
| Product Name | 4-Thiazolecarboxylic acid, 2-[(1S,2S)-1-(acetylamino)-2-(ethoxycarbonyl)cyclopropyl]-, ethyl ester (ACI) |
| Product Chemical Formula | C14H18N2O5S |
| Product CAS Number | 2112731-68-5 |
| Product Smiles | O=C(OCC)C=1N=C(SC1)C2(NC(=O)C)CC2C(=O)OCC |
| Product Structure |
| Product Name | Nitrogen |
| Product Chemical Formula | N2 |
| Product PubChem CID | 947 |
| Product CAS Number | 7727-37-9 |
| Product Smiles | N#N |
| Product Structure |
References:
| Title: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides. |
| PMID: | 28535034 |
| Journal: | ACS Chemical Biology |
| Year: | 2017/5/23 |