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 | C50H46N14O8S6 + C4H6N2O2 → C54H52N14O10S6 + 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-[35-(but-2-yl)-32-[(4-hydroxyphenyl)methyl]-18-[2-(methylamino)-2-oxoethyl]-25-methylidene-16,23,30,33-tetraoxo-7,17,24,31,34,39,40,41,42,43-decaza-3,13,20,27,37-pentathiaheptacyclo[34.2.1.112,15.12,5.126,29.119,22.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carbonyl)amino]propanamide |
| Substrate Chemical Formula | C50H46N14O8S6 |
| Substrate Smiles | O=C1NC(=C)C2=NC(=CS2)C(=O)NC(C(=O)NC(C3=NC(=CS3)C4=NC(=CS4)C=5N=C(C=CC5C6=NC(=CS6)C(=O)NC(C7=NC1=CS7)CC(=O)NC)C8=NC(=CS8)C(=O)NC(C(=O)N)C)C(C)CC)CC9=CC=C(O)C=C9 |
| 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 21-(but-2-yl)-32-(4-{[(1-carbamoylethyl)amino]carbonyl}-1,3-thiazol-2-yl)-18-[(4-hydroxyphenyl)methyl]-4-[2-(methylamino)-2-oxoethyl]-2,9,16,19-tetraoxospiro[3,10,17,20,31,39,40,41,42,43-decaza-6,13,23,27,37-pentathiaheptacyclo[34.2.1.15,8.112,15.126,29.122,25.030,35]tritetraconta-1(38),5(43),7,12(42),14,22(41),24,26(40),28,30(35),31,33,36(39)-tridecaene-11,1'-cyclopropane]-2'-carboxylate |
| Product Chemical Formula | C54H52N14O10S6 |
| Product CAS Number | 2112731-64-1 |
| Product Smiles | O=C(OCC)C1CC21NC(=O)C=3N=C(SC3)C(NC(=O)C=4N=C(SC4)C=5C=CC(=NC5C=6N=C(SC6)C=7N=C(SC7)C(NC(=O)C(NC(=O)C=8N=C2SC8)CC9=CC=C(O)C=C9)C(C)CC)C%10=NC(=CS%10)C(=O)NC(C(=O)N)C)CC(=O)NC |
| 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 |