Detail Information
P450 Protein:
| P450 Symbol | mpaDE |
| Protein Name | Cytochrome P450 monooxygenase mpaDE (EC 1.-.-.-) (Mycophenolic acid biosynthesis cluster fusion protein DE) |
| Uniprot ID | W6QRN8 |
| EC Number | 1.-.-.- |
| Species | Penicillium roqueforti (strain FM164) |
| Txid | 1365484 |
| 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 | C9H9O4- + C17H21N4O9P-2 + O2 → C9H9O5- + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 66668 |
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mpaDE
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Substrate Information:
| Substrate Name | 5-methylorsellinate |
| Substrate Chemical Formula | C9H9O4- |
| Substrate PubChem CID | 145944461 |
| Substrate Smiles | CC1=C(C=C(C(=C1C)C(=O)O)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 | 4,6-dihydroxy-2-(hydroxymethyl)-3-methylbenzoate |
| Product Chemical Formula | C9H9O5- |
| Product PubChem CID | 155486812 |
| Product Smiles | CC1=C(C=C(C(=C1CO)C(=O)O)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: | Multiple recent horizontal transfers of a large genomic region in cheese making fungi. |
| PMID: | 24407037 |
| Journal: | PloS one |
| Year: | 2014/1/ |
| Title: | Identification and Functional Analysis of the Mycophenolic Acid Gene Cluster of Penicillium roqueforti. |
| PMID: | 26751579 |
| Journal: | Nature communications |
| Year: | 2016/1/ |