Detail Information
P450 Protein:
| P450 Symbol | CYP82S18 |
| Protein Name | Vinorine hydroxylase |
| Uniprot ID | A0A218NGS0 |
| EC Number | 1.14.14.104 |
| Species | Rauvolfia serpentina (Serpentine wood) (Ophioxylon serpentinum) |
| Txid | 4060 |
| 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 | C21H22N2O2 + C17H21N4O9P-2 + O2 → C21H22N2O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
+
+
CYP82S18
+
+
+
Substrate Information:
| Substrate Name | Vinorine |
| Substrate Chemical Formula | C21H22N2O2 |
| Substrate PubChem CID | 5281974 |
| Substrate Smiles | C/C=C1/CN2[C@H]3C[C@@H]1C4[C@@H]2C[C@]5([C@@H]4OC(=O)C)C3=NC6=CC=CC=C56 |
| Substrate Structure |
| Substrate Name | FMNH2 |
| Substrate Chemical Formula | C17H21N4O9P-2 |
| Substrate PubChem CID | 44229161 |
| Substrate Smiles | CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| Substrate Structure |
| Substrate Name | O2 |
| Substrate Chemical Formula | O2 |
| Substrate PubChem CID | 977 |
| Substrate CAS Number | 7782-44-7 |
| Substrate Smiles | O=O |
| Substrate Structure |
Product Information:
| Product Name | Vomilenine |
| Product Chemical Formula | C21H22N2O3 |
| Product PubChem CID | 11953806 |
| Product Smiles | C/C=C/1[C@@H]2C[C@H]3C4=NC5=CC=CC=C5[C@]46C[C@@H](C2[C@H]6OC(=O)C)N3[C@@H]1O |
| Product Structure |
| Product Name | FMN |
| Product Chemical Formula | C17H18N4O9P-3 |
| Product PubChem CID | 44229199 |
| Product Smiles | CC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
| Product Structure |
| Product Name | H2O |
| Product Chemical Formula | H2O |
| Product PubChem CID | 962 |
| Product CAS Number | 7732-18-5 |
| Product Smiles | O |
| Product Structure |
| Product Name | H+ |
| Product Chemical Formula | H+ |
| Product PubChem CID | 1038 |
| Product CAS Number | 12408-02-5 |
| Product Smiles | [H+] |
| Product Structure |
References:
| Title: | Dual Catalytic Activity of a Cytochrome P450 Controls Bifurcation at a Metabolic Branch Point of Alkaloid Biosynthesis in Rauwolfia serpentina. |
| PMID: | 28654178 |
| Journal: | Angewandte Chemie (International ed. in English) |
| Year: | 2017/8/1 |