Detail Information
P450 Protein:
| P450 Symbol | aunB |
| Protein Name | Cytochrome P450 monooxygenase aunB |
| Uniprot ID | A2QBE8 |
| EC Number | 1.-.-.- |
| Species | Aspergillus niger (strain CBS 513.88 / FGSC A1513) |
| Txid | 425011 |
| 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 | C16H16O6 + C21H26N7O17P3-4 + O2 + H+ → C32H30O12 + C21H25N7O17P3-3 + H2O |
| Reaction Type | Combination |
| Chemical Bond | CH |
| RheaID | 62788 |
+
+
+
aunB
+
+
Substrate Information:
| Substrate Name | Fonsecin B |
| Substrate Chemical Formula | C16H16O6 |
| Substrate PubChem CID | 160596 |
| Substrate Smiles | CC1(CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC)O)O |
| Substrate Structure |
| Substrate Name | NADPH(4-) |
| Substrate Chemical Formula | C21H26N7O17P3-4 |
| Substrate PubChem CID | 15983949 |
| 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)OP(=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 |
| 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 | Aurasperone B |
| Product Chemical Formula | C32H30O12 |
| Product PubChem CID | 179522 |
| Product Smiles | CC1(CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O |
| Product Structure |
| Product Name | NADP+ |
| Product Chemical Formula | C21H25N7O17P3-3 |
| Product PubChem CID | 162422398 |
| 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)OP(=O)([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: | Biaryl-Forming Enzymes from Aspergilli Exhibit Substrate-Dependent Stereoselectivity. |
| PMID: | 31067027 |
| Journal: | Biochemistry |
| Year: | 2019/6/4 |