Detail Information
P450 Protein:
| P450 Symbol | CYP1A2 |
| Protein Name | Cytochrome P450 1A2 |
| Uniprot ID | P05177 |
| EC Number | 1.14.14.1; 4.2.1.152 |
| Gene ID | 1544 |
| 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 Mitochondrion |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C18H24O2 + C17H21N4O9P-2 + O2 → C18H24O3 + FMN + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 47280 |
+
+
CYP1A2
+
+
+
Substrate Information:
| Substrate Name | 17Beta-Estradiol |
| Substrate Chemical Formula | C18H24O2 |
| Substrate PubChem CID | 5757 |
| Substrate Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)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-Hydroxy-17Beta-Estradiol |
| Product Chemical Formula | C18H24O3 |
| Product PubChem CID | 5282360 |
| Product Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)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: | Role of human cytochrome P450 1A1, 1A2, 1B1, and 3A4 in the 2-, 4-, and 16alpha-hydroxylation of 17beta-estradiol. |
| PMID: | 11555828 |
| Journal: | Metabolism: clinical and experimental |
| Year: | 2001/9/1 |
| Title: | Characterization of the oxidative metabolites of 17beta-estradiol and estrone formed by 15 selectively expressed human cytochrome p450 isoforms. |
| PMID: | 12865317 |
| Journal: | Endocrinology |
| Year: | 2003/8/1 |