Detail Information
P450 Protein:
| P450 Symbol | CYP2D6 |
| Protein Name | Cytochrome P450 2D6 |
| Uniprot ID | P10635 |
| EC Number | 1.14.14.1 |
| Gene ID | 1565 |
| Species | Homo sapiens (Human) |
| Txid | 9606 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Endoplasmic reticulum membrane; Peripheral membrane protein Microsome membrane; Peripheral membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C20H30O + C17H21N4O9P-2 + O2 → C20H28O + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2-OH |
| RheaID | 42092 |
+
+
CYP2D6
+
+
+
Substrate Information:
| Substrate Name | All-Trans-Retinol |
| Substrate Chemical Formula | C20H30O |
| Substrate PubChem CID | 445354 |
| Substrate Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C |
| 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 | All-Trans-Retinal |
| Product Chemical Formula | C20H28O |
| Product PubChem CID | 638015 |
| Product Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C |
| 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: | Biosynthesis of all-trans-retinoic acid from all-trans-retinol: catalysis of all-trans-retinol oxidation by human P-450 cytochromes. |
| PMID: | 10681376 |
| Journal: | Drug metabolism and disposition: the biological fate of chemicals |
| Year: | 2000/3/1 |