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 | C55H55N15O10S6 + C4H6N2O2 → C59H61N15O12S6 + N2 |
| Reaction Type | Oxidation |
| Chemical Bond | |
| Solvents | Water |
| Conditions | 16 h, pH 8, rt |
| Transformations | 1,3-Dipolar Addition |
+
P450TbtJ1
+
Substrate Information:
| Substrate Name | 2-{[(2-{1-[({2-[2-(1-{2-[1-({[2-(1-{2-[1-(acetylamino)ethyl]-1,3-thiazol-4-yl}-1,5-dioxo-2,6-diazahept-3-yl)-1,3-thiazol-4-yl]carbonyl}amino)-2-phenylethyl]-1,3-thiazol-4-yl}-3-[(4-hydroxyphenyl)methyl]-1,4-dioxo-2,5-diazahept-6-en-6-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl}carbonyl)amino]ethyl}-1,3-thiazol-4-yl)carbonyl]amino}propanamide |
| Substrate Chemical Formula | C55H55N15O10S6 |
| Substrate Smiles | O=C(NC(C1=NC(=CS1)C(=O)NC(C(=O)N)C)C)C=2N=C(SC2)C=3N=C(SC3)C(=C)NC(=O)C(NC(=O)C=4N=C(SC4)C(NC(=O)C=5N=C(SC5)C(NC(=O)C=6N=C(SC6)C(NC(=O)C)C)CC(=O)NC)CC=7C=CC=CC7)CC8=CC=C(O)C=C8 |
| 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 | ethyl 2-({2-[({2-[1-({[2-(1-{2-[1-(acetylamino)ethyl]-1,3-thiazol-4-yl}-1,5-dioxo-2,6-diazahept-3-yl)-1,3-thiazol-4-yl]carbonyl}amino)-2-phenylethyl]-1,3-thiazol-4-yl}carbonyl)amino]-3-(4-hydroxyphenyl)propanoyl}amino)-2-{4-[4-({[1-(4-{[(1-carbamoylethyl)amino]carbonyl}-1,3-thiazol-2-yl)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl}cyclopropane-1-carboxylate |
| Product Chemical Formula | C59H61N15O12S6 |
| Product CAS Number | 2112731-69-6 |
| Product Smiles | O=C(OCC)C1CC1(NC(=O)C(NC(=O)C=2N=C(SC2)C(NC(=O)C=3N=C(SC3)C(NC(=O)C=4N=C(SC4)C(NC(=O)C)C)CC(=O)NC)CC=5C=CC=CC5)CC6=CC=C(O)C=C6)C7=NC(=CS7)C8=NC(=CS8)C(=O)NC(C9=NC(=CS9)C(=O)NC(C(=O)N)C)C |
| 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 |