Detail Information
P450 Protein:
| P450 Symbol | CYP106A1 |
| Protein Name | Cytochrome P450 |
| Uniprot ID | D5DF35 |
| Species | Bacillus megaterium DSM319 |
| Txid | 592022 |
| 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 | C21H28O5 + C21H26N7O17P3-4 + H+ → C21H26O6 + C21H26N7O17P3-4 |
| Reaction Type | Oxidation |
| Chemical Bond | CH;C-OH |
+
+
CYP106A1
+
Substrate Information:
| Substrate Name | Prednisolone |
| Substrate Chemical Formula | C21H28O5 |
| Substrate PubChem CID | 5755 |
| Substrate Smiles | C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H] |
| Substrate Structure |
| Substrate Name | NADPH(4-) |
| Substrate Chemical Formula | C21H26N7O17P3-4 |
| Substrate PubChem CID | 15983949 |
| Substrate Smiles | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)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 | 15Beta-hydroxyprednisone |
| Product Chemical Formula | C21H26O6 |
| Product Smiles | C1=C[C@@](C)2[C@]([H])3C(=O)C[C@@](C)4[C@](C(=O)CO)(O)C[C@H](O)[C@@]4([H])[C@]3([H])CCC2=CC1=O |
| Product Structure |
| Product Name | NADPH(4-) |
| Product Chemical Formula | C21H26N7O17P3-4 |
| Product PubChem CID | 15983949 |
| Product Smiles | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O |
| Product Structure |
References:
| Title: | Identification of new substrates for the CYP106A1-mediated 11-oxidation and investigation of the reaction mechanism. |
| PMID: | 26188546 |
| Journal: | FEBS Letters |
| Year: | 2015/8/19 |