Detail Information
P450 Protein:
| P450 Symbol | CYP21A1 |
| Protein Name | Steroid 21-hydroxylase |
| Uniprot ID | P00191 |
| EC Number | 1.14.14.16 |
| Gene ID | 281741 |
| Species | Bos taurus (Bovine) |
| Txid | 9913 |
| 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 | C21H30O2 + C17H21N4O9P-2 + O2 → C21H30O3 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH3 |
| RheaID | 50304 |
+
+
CYP21A1
+
+
+
Substrate Information:
| Substrate Name | Progesterone |
| Substrate Chemical Formula | C21H30O2 |
| Substrate PubChem CID | 5994 |
| Substrate Smiles | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)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 | 21-Hydroxyprogesterone |
| Product Chemical Formula | C21H30O3 |
| Product PubChem CID | 6166 |
| Product Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C |
| 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: | Three-dimensional structure of steroid 21-hydroxylase (cytochrome P450 21A2) with two substrates reveals locations of disease-associated variants. |
| PMID: | 22262854 |
| Journal: | The Journal of biological chemistry |
| Year: | 2012/3/23 |
| Title: | Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYME·PROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE. |
| PMID: | 25855791 |
| Journal: | The Journal of biological chemistry |
| Year: | 2015/5/22 |