Detail Information
P450 Protein:
| P450 Symbol | CYP88A154 |
| Protein Name | 7,8-epoxymelianol synthase CYP88A154 (EC 1.14.14.-) (Cytochrome P450 family 88 subfamily A polypeptide 154) (AaCYP88A154) |
| Uniprot ID | A0A9Y1LLN2 |
| EC Number | 1.14.14.- |
| Species | Ailanthus altissima (Tree-of-heaven) (Toxicodendron altissimum) |
| Txid | 2768810 |
| 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 | C30H48O4 + C17H21N4O9P-2 + O2 → C30H48O5 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | C=C |
| RheaID | 80291 |
+
+
CYP88A154
+
+
+
Substrate Information:
| Substrate Name | melianol |
| Substrate Chemical Formula | C30H48O4 |
| Substrate PubChem CID | 177786 |
| Substrate Smiles | CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(OC5O)C6C(O6)(C)C)C)C)C)O)C |
| 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 | 7,8-epoxymelianol |
| Product Chemical Formula | C30H48O5 |
| Product PubChem CID | 171392382 |
| Product Smiles | CC1(C(CCC2(C1CC3C4(C2CCC5(C4(CCC5C6CC(OC6O)C7C(O7)(C)C)C)C)O3)C)O)C |
| 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: | Post-Cyclization Skeletal Rearrangements in Plant Triterpenoid Biosynthesis by a Pair of Branchpoint Isomerases. |
| PMID: | 36821810 |
| Journal: | Journal of the American Chemical Society |
| Year: | 2023/3/8 |