Detail Information
P450 Protein:
| P450 Symbol | CYP17A1 |
| Protein Name | Steroid 17-alpha-hydroxylase/17,20 lyase |
| Uniprot ID | P05093 |
| EC Number | 1.14.14.19; 1.14.14.32 |
| Gene ID | 1586 |
| 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 Microsome membrane |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C21H36 + C17H21N4O9P-2 + O2 → C21H36O + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| RheaID | 65760 |
+
+
CYP17A1
+
+
+
Substrate Information:
| Substrate Name | A C(21)-Steroid |
| Substrate Chemical Formula | C21H36 |
| Substrate PubChem CID | 12547 |
| Substrate Smiles | CCC1CCC2C1(CCC3C2CCC4C3(CCCC4)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 | 17alpha-hydroxy-C21-steroid |
| Product Chemical Formula | C21H36O |
| Product PubChem CID | 129626755 |
| Product Smiles | CC[C@]1(CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)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: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. |
| PMID: | 22266943 |
| Journal: | Nature |
| Year: | 2012/1/22 |
| Title: | Structures of human steroidogenic cytochrome P450 17A1 with substrates. |
| PMID: | 25301938 |
| Journal: | The Journal of biological chemistry |
| Year: | 2014/11/21 |
| Title: | Mechanism of 17α,20-Lyase and New Hydroxylation Reactions of Human Cytochrome P450 17A1: 18O LABELING AND OXYGEN SURROGATE EVIDENCE FOR A ROLE OF A PERFERRYL OXYGEN. |
| PMID: | 27339894 |
| Journal: | The Journal of biological chemistry |
| Year: | 2016/8/12 |