Detail Information
P450 Protein:
| P450 Symbol | ftmP450-1 |
| Protein Name | Tryprostatin B 6-hydroxylase |
| Uniprot ID | B9WZX1 |
| EC Number | 1.14.14.118 |
| Species | Neosartorya fumigata (Aspergillus fumigatus) |
| Txid | 746128 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Multi-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C21H25N3O2 + C17H21N4O9P-2 + O2 → C21H25N3O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 35955 |
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ftmP450-1
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Substrate Information:
| Substrate Name | Tryprostatin B |
| Substrate Chemical Formula | C21H25N3O2 |
| Substrate PubChem CID | 9863281 |
| Substrate Smiles | CC(=CCC1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)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 | 6-Hydroxytryprostatin B |
| Product Chemical Formula | C21H25N3O3 |
| Product PubChem CID | 71296150 |
| Product Smiles | CC(=CCC1=C(C2=C(N1)C=C(C=C2)O)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C |
| 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: | Identification of cytochrome P450s required for fumitremorgin biosynthesis in Aspergillus fumigatus. |
| PMID: | 19226505 |
| Journal: | Chembiochem : a European journal of chemical biology |
| Year: | 2009/3/23 |