Detail Information
P450 Protein:
| P450 Symbol | CYP105D7 |
| Protein Name | Pentalenic acid synthase |
| Uniprot ID | Q825I8 |
| EC Number | 1.14.15.11 |
| Species | Streptomyces avermitilis (strain MA-4680) |
| Txid | 227882 |
| 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 | C15H10O4 + C21H27N7O14P2-2 + O2 + H+ → C15H10O5 + C21H26N7O14P2- + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Transformations | 1.Hydroxylation of Aromatic Compounds 2.Hydroxylation at an Aromatic Carbon |
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CYP105D7
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Substrate Information:
| Substrate Name | Daidzein |
| Substrate Chemical Formula | C15H10O4 |
| Substrate PubChem CID | 5281708 |
| Substrate Smiles | O=C1C(=COC2=CC(O)=CC=C12)C=3C=CC(O)=CC3 |
| Substrate Structure |
| Substrate Name | NADH |
| Substrate Chemical Formula | C21H27N7O14P2-2 |
| Substrate PubChem CID | 21604869 |
| Substrate Smiles | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)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 |
| Substrate Name | H+ |
| Substrate Chemical Formula | H+ |
| Substrate PubChem CID | 1038 |
| Substrate CAS Number | 12408-02-5 |
| Substrate Smiles | [H+] |
| Substrate Structure |
Product Information:
| Product Name | 3′,4′,7-Trihydroxyisoflavone |
| Product Chemical Formula | C15H10O5 |
| Product PubChem CID | 5284648 |
| Product CAS Number | 485-63-2 |
| Product Smiles | O=C1C(=COC2=CC(O)=CC=C12)C=3C=CC(O)=C(O)C3 |
| Product Structure |
| Product Name | NAD+ |
| Product Chemical Formula | C21H26N7O14P2- |
| Product PubChem CID | 15938971 |
| Product Smiles | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N |
| Product Structure |
| Product Name | H2O |
| Product Chemical Formula | H2O |
| Product PubChem CID | 962 |
| Product CAS Number | 7732-18-5 |
| Product Smiles | O |
| Product Structure |
References:
| Title: | Biotransformation of isoflavone using enzymatic reactions. |
| PMID: | 23467013 |
| Journal: | Molecules |
| Year: | 2013/3/6 |