Detail Information
P450 Protein:
| P450 Symbol | CYP80A1 |
| Protein Name | Berbamunine synthase |
| Uniprot ID | P47195 |
| EC Number | 1.14.19.66 |
| Species | Berberis stolonifera (Barberry) |
| Txid | 33814 |
| 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 | C18H21NO3 + C17H21N4O9P-2 + O2 → C36H40N2O6 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Combination |
| Chemical Bond | C-O |
| RheaID | 23576 |
+
+
CYP80A1
+
+
+
Substrate Information:
| Substrate Name | (R)-N-Methylcoclaurine |
| Substrate Chemical Formula | C18H21NO3 |
| Substrate PubChem CID | 440595 |
| Substrate Smiles | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)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 | Berbamunine |
| Product Chemical Formula | C36H40N2O6 |
| Product PubChem CID | 440585 |
| Product Smiles | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC |
| 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: | The purification and characterization of a unique cytochrome P-450 enzyme from Berberis stolonifera plant cell cultures. |
| PMID: | 8380416 |
| Journal: | The Journal of biological chemistry |
| Year: | 1993/1/15 |