Detail Information
P450 Protein:
| P450 Symbol | ascE |
| Protein Name | Bifunctional cytochrome P450/NADPH--P450 reductase ascE |
| Uniprot ID | A0A455R5H4 |
| EC Number | 1.14.14.- |
| Species | Acremonium egyptiacum (Oospora egyptiaca) |
| Txid | 749675 |
| 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 | C23H31ClO3 + C21H26N7O17P3-4 + O2 + H+ → C23H30ClO4- + C21H25N7O17P3-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | C-CH |
| RheaID | 63092 |
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ascE
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Substrate Information:
| Substrate Name | Ilicicolin A |
| Substrate Chemical Formula | C23H31ClO3 |
| Substrate PubChem CID | 6445117 |
| Substrate Smiles | CC1=C(C(=C(C(=C1Cl)O)C/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C=O |
| Substrate Structure |
| Substrate Name | NADPH(4-) |
| Substrate Chemical Formula | C21H26N7O17P3-4 |
| Substrate PubChem CID | 15983949 |
| Substrate Smiles | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=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 |
| Substrate Name | H+ |
| Substrate Chemical Formula | H+ |
| Substrate PubChem CID | 1038 |
| Substrate CAS Number | 12408-02-5 |
| Substrate Smiles | [H+] |
| Substrate Structure |
Product Information:
| Product Name | Ilicicolin A Epoxide |
| Product Chemical Formula | C23H30ClO4- |
| Product PubChem CID | 145944453 |
| Product Smiles | CC1=C(C(=C(C(=C1Cl)[O-])C/C=C(C)/CC/C=C(C)/CC[C@H]2C(O2)(C)C)O)C=O |
| Product Structure |
| Product Name | NADP+ |
| Product Chemical Formula | C21H25N7O17P3-3 |
| Product PubChem CID | 162422398 |
| Product Smiles | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)([O-])[O-])O)O)C(=O)N |
| 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: | Complete biosynthetic pathways of ascofuranone and ascochlorin in Acremonium egyptiacum. |
| PMID: | 30952781 |
| Journal: | Proceedings of the National Academy of Sciences of the United States of America |
| Year: | 2019/4/23 |