Detail Information
P450 Protein:
| P450 Symbol | CYP90B51 |
| Protein Name | Cholesterol 22-monohydroxylase CYP90B51 (EC 1.14.14.-) (Cytochrome P450 CYP90B51) (PpCYP90B51) |
| Uniprot ID | A0A517FNC6 |
| EC Number | 1.14.14.- |
| Species | Trigonella foenum-graecum (Fenugreek) |
| Txid | 78534 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C27H46O + C17H21N4O9P-2 + O2 → C27H46O2 + C17H18N4O9P-3 + H2O + H+ |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 69839 |
+
+
CYP90B51
+
+
+
Substrate Information:
| Substrate Name | cholesterol |
| Substrate Chemical Formula | C27H46O |
| Substrate PubChem CID | 5997 |
| Substrate Smiles | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)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 | (22S)-22-hydroxycholesterol |
| Product Chemical Formula | C27H46O2 |
| Product PubChem CID | 168038 |
| Product Smiles | CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)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: | Repeated evolution of cytochrome P450-mediated spiroketal steroid biosynthesis in plants. |
| PMID: | 31324795 |
| Journal: | Nature communications |
| Year: | 2019/7/19 |