Detail Information
P450 Protein:
| P450 Symbol | CYP76AH3 |
| Protein Name | Sugiol synthase |
| Uniprot ID | A0A0Y0GRS3 |
| EC Number | 1.14.14.60; 1.14.14.65 |
| Species | Salvia miltiorrhiza (Chinese sage) |
| Txid | 226208 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C20H30O2 + C17H21N4O9P-2 + O2 → C20H28O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 55460 |
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+
CYP76AH3
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+
Substrate Information:
| Substrate Name | 11-Hydroxyferruginol |
| Substrate Chemical Formula | C20H30O2 |
| Substrate PubChem CID | 46832173 |
| Substrate Smiles | CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O)O |
| 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 | 11-Hydroxysugiol |
| Product Chemical Formula | C20H28O3 |
| Product PubChem CID | 10403490 |
| Product Smiles | CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O)O |
| 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: | Cytochrome P450 promiscuity leads to a bifurcating biosynthetic pathway for tanshinones. |
| PMID: | 26682704 |
| Journal: | The New phytologist |
| Year: | 2016/4/1 |