Detail Information
P450 Protein:
| P450 Symbol | CYP71DD6 |
| Protein Name | Eupatolide synthase |
| Uniprot ID | F8S1H8 |
| EC Number | 1.14.14.169 |
| Species | Helianthus annuus (Common sunflower) |
| Txid | 4232 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Single-pass type II membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C15H21O3- + C17H21N4O9P-2 + O2 → C15H20O3 + C17H18N4O9P-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH2;Carboxyl |
| RheaID | 57972 |
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CYP71DD6
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Substrate Information:
| Substrate Name | 8Beta-Hydroxygermacra-1(10),4,11(13)-Trien-12-Oate |
| Substrate Chemical Formula | C15H21O3- |
| Substrate PubChem CID | 90657346 |
| Substrate Smiles | C/C/1=CC[C@@H]([C@@H](C/C(=C/CC1)/C)O)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 | Eupatolide |
| Product Chemical Formula | C15H20O3 |
| Product PubChem CID | 5281460 |
| Product Smiles | C/C/1=C[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)O)C(=C)C(=O)O2 |
| 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 |
References:
| Title: | Biosynthesis of Eupatolide-A Metabolic Route for Sesquiterpene Lactone Formation Involving the P450 Enzyme CYP71DD6. |
| PMID: | 29758164 |
| Journal: | ACS chemical biology |
| Year: | 2018/6/15 |