Detail Information
P450 Protein:
| P450 Symbol | vrcB |
| Protein Name | Cytochrome P450 monooxygenase vrcB |
| Uniprot ID | A0A1L9WQK2 |
| EC Number | 1.-.-.- |
| Species | Aspergillus aculeatus (strain ATCC 16872) |
| Txid | 690307 |
| 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 | C25H40 → C25H36O3 |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
vrcB
Substrate Information:
| Substrate Name | variecoladiene |
| Substrate Chemical Formula | C25H40 |
| Substrate PubChem CID | 171364920 |
| Substrate Smiles | C[C@H]1CC[C@@H]/2[C@H]1C[C@]3(CC[C@@]4(CC[C@@H]([C@H]4[C@@H]3C/C=C2/C)C(=C)C)C)C |
| Substrate Structure |
Product Information:
| Product Name | variecolactone |
| Product Chemical Formula | C25H36O3 |
| Product PubChem CID | 10068616 |
| Product CAS Number | 216445-01-1 |
| Product Smiles | C[C@H]1C[C@@]2([C@@H]/3[C@H]1C[C@]4(CC[C@@]5(CC[C@@H]([C@H]5[C@@H]4C/C=C3/C(=O)O2)C(=C)C)C)C)O |
| Product Structure |
References:
| Title: | Genomics-driven derivatization of the bioactive fungal sesterterpenoid variecolin: Creation of an unnatural analogue with improved anticancer properties. |
| PMID: | 38261827 |
| Journal: | Acta Pharmaceutica Sinica B |
| Year: | 2023/8/30 |