Detail Information
P450 Protein:
| P450 Symbol | cyp64 |
| Protein Name | O-methylsterigmatocystin oxidoreductase |
| Uniprot ID | O13345 |
| EC Number | 1.14.14.117 |
| Species | Aspergillus parasiticus (strain ATCC 56775 / NRRL 5862 / SRRC 143 / SU-1) |
| Txid | 1403190 |
| 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 | C19H14O6 + C17H21N4O9P-2 + O2 → C17H12O6 + CH4O + C17H18N4O9P-3 + CO2 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | Oxo |
| RheaID | 35759 |
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cyp64
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Substrate Information:
| Substrate Name | 8-O-Methylsterigmatocystin |
| Substrate Chemical Formula | C19H14O6 |
| Substrate PubChem CID | 104940 |
| Substrate Smiles | COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)[C@@H]5C=CO[C@@H]5O4)OC |
| 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 | Aflatoxin B1 |
| Product Chemical Formula | C17H12O6 |
| Product PubChem CID | 186907 |
| Product Smiles | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| Product Structure |
| Product Name | Methanol |
| Product Chemical Formula | CH4O |
| Product PubChem CID | 887 |
| Product Smiles | CO |
| 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 | CO2 |
| Product Chemical Formula | CO2 |
| Product PubChem CID | 280 |
| Product CAS Number | 124-38-9 |
| Product Smiles | O=C=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: | Synthesis of 11-hydroxyl O-methylsterigmatocystin and the role of a cytochrome P-450 in the final step of aflatoxin biosynthesis. |
| PMID: | 11996570 |
| Journal: | Journal of the American Chemical Society |
| Year: | 2002/5/15 |