Detail Information
P450 Protein:
| P450 Symbol | CYP71AY4 |
| Protein Name | Sarpagan bridge enzyme |
| Uniprot ID | P0DO13 |
| EC Number | 1.14.14.- |
| Species | Rauvolfia serpentina (Serpentine wood) (Ophioxylon serpentinum) |
| Txid | 4060 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Endoplasmic reticulum membrane; Single-pass type II membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C21H24N2O3+ + R + C17H21N4O9P-2 + O2 → C21H21N2O3+ + AH2 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH-N |
| RheaID | 58132 |
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CYP71AY4
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Substrate Information:
| Substrate Name | Ajmalicine |
| Substrate Chemical Formula | C21H24N2O3+ |
| Substrate PubChem CID | 441975 |
| Substrate Smiles | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| Substrate Structure |
| Substrate Name | A |
| Substrate Chemical Formula | R |
| Substrate Smiles | * |
| 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 | Serpentine |
| Product Chemical Formula | C21H21N2O3+ |
| Product PubChem CID | 73391 |
| Product Smiles | C[C@H]1[C@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4 |
| Product Structure |
| Product Name | AH2 |
| Product Smiles | *([H])[H] |
| 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: | Sarpagan bridge enzyme has substrate-controlled cyclization and aromatization modes. |
| PMID: | 29942076 |
| Journal: | Nature chemical biology |
| Year: | 2018/8/1 |