Detail Information
P450 Protein:
| P450 Symbol | cpsD |
| Protein Name | Cytochrome P450 monooxygenase cpsD |
| Uniprot ID | A0A2I1CSG1 |
| EC Number | 1.-.-.- |
| Species | Aspergillus campestris (strain IBT 28561) |
| Txid | 1392248 |
| 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 | C18H26N3O+ + C16H24N3+ + C17H21N4O9P-2 + O2 → C34H47N6O+ + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | |
| RheaID | 82839 |
+
+
+
cpsD
+
+
+
Substrate Information:
| Substrate Name | campesine C |
| Substrate Chemical Formula | C18H26N3O+ |
| Substrate PubChem CID | 172429325 |
| Substrate Smiles | CC(C)[C@H]1C[NH2+][C@H](CN1C(=O)C)CC2=CNC3=CC=CC=C32 |
| Substrate Structure |
| Substrate Name | campesine A |
| Substrate Chemical Formula | C16H24N3+ |
| Substrate PubChem CID | 172429321 |
| Substrate Smiles | CC(C)[C@H]1CN[C@H](C[NH2+]1)CC2=CNC3=CC=CC=C32 |
| 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 | campesine E |
| Product Chemical Formula | C34H47N6O+ |
| Product PubChem CID | 172429332 |
| Product Smiles | CC(C)[C@H]1CN2[C@@H]3C4(C[C@H]5CN([C@H](CN5[C@@H]6C4(CC2C[NH2+]1)C7=CC=CC=C7N6)C(C)C)C(=O)C)C8=CC=CC=C8N3 |
| 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: | A Cytochrome P450 Catalyzes Oxidative Coupling Formation of Insecticidal Dimeric Indole Piperazine Alkaloids. |
| PMID: | 38527935 |
| Journal: | Angew Chem Int Ed Engl |
| Year: | 2024/3/25 |