Detail Information
P450 Protein:
| P450 Symbol | CYP82D61 |
| Protein Name | Demethylepipodophyllotoxin synthase |
| Uniprot ID | A0A0N7F297 |
| EC Number | 1.14.14.132 |
| Species | Sinopodophyllum hexandrum (Himalayan may apple) (Podophyllum hexandrum) |
| Txid | 93608 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C21H20O7 + C17H21N4O9P-2 + O2 → C21H20O8 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 49032 |
+
+
CYP82D61
+
+
+
Substrate Information:
| Substrate Name | (-)-4′-Desmethyl-Deoxypodophyllotoxin |
| Substrate Chemical Formula | C21H20O7 |
| Substrate PubChem CID | 160705 |
| Substrate Smiles | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O |
| 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 | 4′-Demethylepipodophyllotoxin |
| Product Chemical Formula | C21H20O8 |
| Product PubChem CID | 122797 |
| Product Smiles | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O |
| 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: | Six enzymes from mayapple that complete the biosynthetic pathway to the etoposide aglycone. |
| PMID: | 26359402 |
| Journal: | Science (New York, N.Y.) |
| Year: | 2015/9/11 |