Detail Information
P450 Protein:
| P450 Symbol | |
| Protein Name | Cytochrome P450 monooxygenase hkm5 (EC 1.-.-.-) (Hancockiamides biosynthesis cluster protein 5) |
| Uniprot ID | P0DUL3 |
| EC Number | 1.-.-.- |
| Species | Aspergillus hancockii |
| Txid | 1873369 |
| 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 | C31H34N2O5 + C17H21N4O9P-2 + O2 → C31H32N2O5 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Redox |
| Chemical Bond | OH |
| RheaID | 81127 |
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Substrate Information:
| Substrate Name | hancockiamide B |
| Substrate Chemical Formula | C31H34N2O5 |
| Substrate PubChem CID | 169492346 |
| Substrate Smiles | CC(=O)N1C[C@@H](N(C[C@@H]1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3)CC4=CC(=C(C(=C4)OC)O)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 | hancockiamide C |
| Product Chemical Formula | C31H32N2O5 |
| Product PubChem CID | 166625282 |
| Product Smiles | CC(=O)N1CC(N(CC1CC2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)CC4=CC5=C(C(=C4)OC)OCO5 |
| 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: | Hancockiamides: phenylpropanoid piperazines from Aspergillus hancockii are biosynthesised by a versatile dual single-module NRPS pathway. |
| PMID: | 33242032 |
| Journal: | Organic & biomolecular chemistry |
| Year: | 2021/1/28 |