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 | C16H19N3O2 + C20H19N3O3 → C36H36N6O5 |
| Reaction Type | Condensation |
| Chemical Bond | |
| Solvents | Water |
| Conditions | 24 h, pH 7.5, 18°C |
+
NascB
Substrate Information:
| Substrate Name | (3S,6S)-3-(1H-indol-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione |
| Substrate Chemical Formula | C16H19N3O2 |
| Substrate PubChem CID | 92160941 |
| Substrate Smiles | CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32 |
| Substrate Structure |
| Substrate Name | (3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione |
| Substrate Chemical Formula | C20H19N3O3 |
| Substrate PubChem CID | 7408259 |
| Substrate CAS Number | 20829-53-2 |
| Substrate Smiles | C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N3)CC4=CC=C(C=C4)O |
| Substrate Structure |
Product Information:
| Product Name | (3S,5aR,10bS,11aS)-6,10b,11,11a-Tetrahydro-3-[(4-hydroxyphenyl)methyl]-10b-[3-[[(2S,5S)-5-(1-methylethyl)-3,6-dioxo-2-piperazinyl]methyl]-1H-indol-6-yl]-2H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione |
| Product Chemical Formula | C36H36N6O5 |
| Product CAS Number | 2313221-28-0 |
| Product Smiles | O=C1N2[C@@]3([C@@](C=4C(N3)=CC=CC4)(C[C@]2(C(=O)N[C@H]1CC5=CC=C(O)C=C5)[H])C=6C=C7C(=CC6)C(C[C@H]8C(=O)N[C@@H]([C@@H](C)C)C(=O)N8)=CN7)[H] |
| Product Structure |
References:
| Title: | Efficient biosynthesis of heterodimeric C(3)-aryl pyrroloindoline alkaloids. |
| PMID: | 30356123 |
| Journal: | Nature Communications |
| Year: | 2018/10/24 |