Detail Information
P450 Protein:
| P450 Symbol | astA aspA |
| Protein Name | Cytochrome P450 monooxygenase astA (EC 1.-.-.-) (Asperterpenoid biosynthesis cluster protein A) |
| Uniprot ID | A0A3Q9FEJ4 |
| EC Number | 1.-.-.- |
| Species | Talaromyces wortmannii (Penicillium wortmannii) |
| Txid | 28567 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
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| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C25H38O3 + C17H21N4O9P-2 + O2 → C25H38O4 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 66844 |
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astA aspA
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Substrate Information:
| Substrate Name | asperterpenoid A |
| Substrate Chemical Formula | C25H38O3 |
| Substrate PubChem CID | 71578630 |
| Substrate Smiles | CC(C)C1CCC2(C1C3C4CC4(C5CCC(=C5CC3(CC2)CO)C(=O)O)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 | asperterpenoid C |
| Product Chemical Formula | C25H38O4 |
| Product PubChem CID | 146682259 |
| Product Smiles | CC(C)C1CC(C2(C1C3C4CC4(C5CCC(=C5CC3(CC2)CO)C(=O)O)C)C)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: | Biosynthesis of an anti-tuberculosis sesterterpenoid asperterpenoid A. |
| PMID: | 30548032 |
| Journal: | Organic & biomolecular chemistry |
| Year: | 2019/1/2 |