Detail Information
P450 Protein:
| P450 Symbol | af510 |
| Protein Name | Multifunctional cytochrome P450 monooxygenase af510 |
| Uniprot ID | Q4WAZ6 |
| Species | Aspergillus fumigatus |
| Txid | 330879 |
| 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 | C15H24 + C17H21N4O9P-2 + O2 → C15H22O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 74591 |
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af510
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Substrate Information:
| Substrate Name | (+)-exo-beta-bergamotene |
| Substrate Chemical Formula | C15H24 |
| Substrate PubChem CID | 12300069 |
| Substrate Smiles | C(CC=C(C)C)[C@@]1([C@H]2CCC([C@@H]1C2)=C)C |
| 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 | 5-dehydro-6-demethoxyfumagillol |
| Product Chemical Formula | C15H22O3 |
| Product PubChem CID | 54109911 |
| Product Smiles | [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])CC(CC[C@]13CO3)=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: | Generation of complexity in fungal terpene biosynthesis: discovery of a multifunctional cytochrome P450 in the fumagillin pathway. |
| PMID: | 24568283 |
| Journal: | Journal of the American Chemical Society |
| Year: | 2014/2/26 |