Detail Information
P450 Protein:
| P450 Symbol | CYP11A1 |
| Protein Name | Cholesterol side-chain cleavage enzyme, mitochondrial |
| Uniprot ID | P05108 |
| EC Number | 1.14.15.6 |
| Gene ID | 1583 |
| 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 | Microsome membrane; Peripheral membrane protein Endoplasmic reticulum membrane; Peripheral membrane protein |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C27H46O2 + Fe2S2 + O2 + H+ → C27H46O3 + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 34339 |
+
+
+
CYP11A1
+
+
Substrate Information:
| Substrate Name | 22R-Hydroxycholesterol |
| Substrate Chemical Formula | C27H46O2 |
| Substrate PubChem CID | 167685 |
| Substrate Smiles | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O |
| Substrate Structure |
| Substrate Name | [2Fe-2S]1+ |
| Substrate Chemical Formula | Fe2S2 |
| Substrate Smiles | S1[Fe]S[Fe+]1 |
| 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 |
| Substrate Name | H+ |
| Substrate Chemical Formula | H+ |
| Substrate PubChem CID | 1038 |
| Substrate CAS Number | 12408-02-5 |
| Substrate Smiles | [H+] |
| Substrate Structure |
Product Information:
| Product Name | (20R,22R)-20,22-Dihydroxycholesterol |
| Product Chemical Formula | C27H46O3 |
| Product PubChem CID | 6453841 |
| Product Smiles | CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O |
| Product Structure |
| Product Name | [2Fe-2S]2+ |
| Product Chemical Formula | Fe2S2 |
| Product Smiles | S1[Fe+]S[Fe+]1 |
| Product Structure |
| Product Name | H2O |
| Product Chemical Formula | H2O |
| Product PubChem CID | 962 |
| Product CAS Number | 7732-18-5 |
| Product Smiles | O |
| Product Structure |
References:
| Title: | Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system. |
| PMID: | 21636783 |
| Journal: | Proceedings of the National Academy of Sciences of the United States of America |
| Year: | 2011/6/21 |