Detail Information
P450 Protein:
| P450 Symbol | CYP82E3 |
| Protein Name | Nicotine N-demethylase CYP82E3 (NND) (EC 1.14.14.-) (Cytochrome P450 82E3) (NtomCYP82E3) |
| Uniprot ID | A1YJE2 |
| EC Number | 1.14.14.- |
| Gene ID | 104103346 |
| Species | Nicotiana tomentosiformis (Tobacco) |
| Txid | 4098 |
| 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 | C10H14N2 + C17H21N4O9P-2 + O2 → C9H12N2 + CH2O + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Decomposition |
| Chemical Bond | N-CH3 |
| RheaID | 70999 |
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CYP82E3
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Substrate Information:
| Substrate Name | (S)-nicotine |
| Substrate Chemical Formula | C10H14N2 |
| Substrate PubChem CID | 89594 |
| Substrate Smiles | CN1CCCC1C2=CN=CC=C2 |
| 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 | (S)-nornicotine |
| Product Chemical Formula | C9H12N2 |
| Product PubChem CID | 91462 |
| Product Smiles | C1CC(NC1)C2=CN=CC=C2 |
| Product Structure |
| Product Name | Formaldehyde |
| Product Chemical Formula | CH2O |
| Product PubChem CID | 712 |
| Product Smiles | C=O |
| Product Structure |
| Product Name | FMNH2 |
| 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: | Functional analysis of nicotine demethylase genes reveals insights into the evolution of modern tobacco. |
| PMID: | 17102129 |
| Journal: | The Journal of biological chemistry |
| Year: | 2007/1/5 |