Detail Information
P450 Protein:
| P450 Symbol | CYP3A4 |
| Protein Name | Cytochrome P450 3A4 |
| Uniprot ID | P08684 |
| EC Number | 1.14.14.1; 1.14.14.55; 1.14.14.56; 1.14.14.73 |
| Gene ID | 1576 |
| 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; Single-pass membrane protein Microsome membrane; Single-pass membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C19H28O2 + C17H21N4O9P-2 + O2 → C19H28O3 + FMN + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 53444 |
+
+
CYP3A4
+
+
+
Substrate Information:
| Substrate Name | Testosterone |
| Substrate Chemical Formula | C19H28O2 |
| Substrate PubChem CID | 6013 |
| Substrate Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C |
| 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 | 11Beta,17Beta-Dihydroxyandrost-4-Ene-3-One |
| Product Chemical Formula | C19H28O3 |
| Product PubChem CID | 114920 |
| Product Smiles | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4O)C)O |
| Product Structure |
| Product Name | FMN |
| 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: | Characterization of testosterone 11 beta-hydroxylation catalyzed by human liver microsomal cytochromes P450. |
| PMID: | 15764715 |
| Journal: | Drug metabolism and disposition: the biological fate of chemicals |
| Year: | 2005/6/1 |