Detail Information
P450 Protein:
| P450 Symbol | NascB |
| Protein Name | |
| Uniprot ID | A0A3G1Q973 |
| Species | Streptomyces sp. |
| Txid | 1931 |
| 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 | C16H16ClN3O2 → C32H30Cl2N6O4 |
| Reaction Type | Condensation |
| Chemical Bond | |
| Solvents | Water |
| Conditions | 24 h, pH 7.5, 18°C |
NascB
Substrate Information:
| Substrate Name | (3S,8aS)-3-[(6-Chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Substrate Chemical Formula | C16H16ClN3O2 |
| Substrate Smiles | C(C=1C=2C(NC1)=CC(Cl)=CC2)[C@H]3C(=O)N4[C@](C(=O)N3)(CCC4)[H] |
| Substrate Structure |
Product Information:
| Product Name | / |
| Product Chemical Formula | C32H30Cl2N6O4 |
| Product CAS Number | 2313221-31-5 |
| Product Smiles | ClC1=C([C@]23[C@](N4[C@@](C2)(C(=O)N5[C@](C4=O)(CCC5)[H])[H])(NC=6C3=CC=C(Cl)C6)[H])C=C7C(C[C@H]8C(=O)N9[C@](C(=O)N8)(CCC9)[H])=CNC7=C1 |
| Product Structure |
References:
| Title: | Efficient biosynthesis of heterodimeric C(3)-aryl pyrroloindoline alkaloids. |
| PMID: | 30356123 |
| Journal: | Nature Communications |
| Year: | 2018/10/24 |