Detail Information
P450 Protein:
| P450 Symbol | CYP71AJ4 |
| Protein Name | Angelicin synthase |
| Uniprot ID | C0SJS3 |
| EC Number | 1.14.14.148 |
| Species | Pastinaca sativa (Wild parsnip) (Anethum pastinaca) |
| Txid | 4041 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Endoplasmic reticulum membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C14H14O4 + C17H21N4O9P-2 + O2 → C11H6O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Decomposition |
| Chemical Bond | CH |
| RheaID | 27481 |
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CYP71AJ4
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Substrate Information:
| Substrate Name | (S)-Columbianetin |
| Substrate Chemical Formula | C14H14O4 |
| Substrate PubChem CID | 92201 |
| Substrate Smiles | CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)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 | Angelicin |
| Product Chemical Formula | C11H6O3 |
| Product PubChem CID | 10658 |
| Product Smiles | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
| 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: | Isolation and functional characterization of CYP71AJ4 encoding for the first P450 monooxygenase of angular furanocoumarin biosynthesis. |
| PMID: | 19098286 |
| Journal: | The Journal of biological chemistry |
| Year: | 2009/2/20 |