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 | C17H21N3O2 + C16H17N3O2 → C33H36N6O4 |
| Reaction Type | Condensation |
| Chemical Bond | |
| Solvents | Water |
| Conditions | 24 h, pH 7.5, 18°C |
+
NascB
Substrate Information:
| Substrate Name | (3S,6S)-3-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| Substrate Chemical Formula | C17H21N3O2 |
| Substrate PubChem CID | 171116541 |
| Substrate Smiles | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32 |
| Substrate Structure |
| Substrate Name | (3S,8aS)-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| Substrate Chemical Formula | C16H17N3O2 |
| Substrate PubChem CID | 181567 |
| Substrate CAS Number | 38136-70-8 |
| Substrate Smiles | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43 |
| Substrate Structure |
Product Information:
| Product Name | (3S,5aS,10bR,11aS)-6,10b,11,11a-Tetrahydro-3-[(1S)-1-methylpropyl]-10b-[3-[[(3S,8aS)-octahydro-1,4-dioxopyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione |
| Product Chemical Formula | C33H36N6O4 |
| Product CAS Number | 2313221-06-4 |
| Product Smiles | O=C1N2[C@]3([C@](C=4C(N3)=CC=CC4)(C[C@]2(C(=O)N[C@]1([C@H](CC)C)[H])[H])C=5C=C6C(C[C@H]7C(=O)N8[C@](C(=O)N7)(CCC8)[H])=CNC6=CC5)[H] |
| Product Structure |
References:
| Title: | Efficient biosynthesis of heterodimeric C(3)-aryl pyrroloindoline alkaloids. |
| PMID: | 30356123 |
| Journal: | Nature Communications |
| Year: | 2018/10/24 |