Detail Information
P450 Protein:
| P450 Symbol | CYP102A1 |
| Protein Name | P450BM3 variant FL#62 |
| Uniprot ID | |
| Species | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512) |
| Txid | 1348623 |
| 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 | C12H15N3O4S → C12H15NO4S |
| Reaction Type | Intramolecular diazo-mediated nucleophilic cyclization-elimination |
| Chemical Bond | |
| Solvents | Na2S204 |
| Conditions | pH 8, 25°C,16h |
CYP102A1
Substrate Information:
| Substrate Name | methyl 3-(azidodioxo-λ6-sulfanyl)-4-(but-2-yl)benzoate |
| Substrate Chemical Formula | C12H15N3O4S |
| Substrate Smiles | C(C(OC)=O)1C=C(S(=O)(=O)N=[N+]=[N-])C(C(CC)C)=CC=1 |
| Substrate Structure |
Product Information:
| Product Name | methyl 3-ethyl-3-methyl-1,1-dioxo-2,3-dihydro-1λ6-benzo[d][1,2]thiazole-6-carboxylate |
| Product Chemical Formula | C12H15NO4S |
| Product Smiles | C(C(OC)=O)1C=C2S(=O)(=O)NC(CC)(C)C2=CC=1 |
| Product Structure |
References:
| Title: | P450-catalyzed intramolecular sp(3) C-H amination with arylsulfonyl azide substrates. |
| PMID: | 24634794 |
| Journal: | ACS Catalysis |
| Year: | 2014/1/6 |