Detail Information
P450 Protein:
| P450 Symbol | CYP106A2 |
| Protein Name | Cytochrome P450(MEG) |
| Uniprot ID | Q06069 |
| EC Number | 1.14.99.- |
| Species | Bacillus megaterium ATCC 13368 |
| Txid | 1404 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
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| Subcellular Location | |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C24H29ClO4 + C21H26N7O17P3-4 + O2 + H+ → C24H29ClO5 + C21H25N7O17P3-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| Solvents | Water |
| Conditions | pH 7.4, 30°C |
| Transformations | Hydroxylation at an Aliphatic Carbon |
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CYP106A2
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Substrate Information:
| Substrate Name | 1,2alpha-Methylene-6-chloro-17alpha-acetoxy-4,6-pregnadiene-3,20-dione |
| Substrate Chemical Formula | C24H29ClO4 |
| Substrate PubChem CID | 9880 |
| Substrate Smiles | C[C@]12[C@@]3([C@@](C3)(C(=O)C=C1C(Cl)=C[C@@]4([C@@]2(CC[C@@]5(C)[C@]4(CC[C@]5(OC(C)=O)C(C)=O)[H])[H])[H])[H])[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 | 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 | 15beta-Hydroxycyproterone acetate |
| Product Chemical Formula | C24H29ClO5 |
| Product PubChem CID | 163085 |
| Product CAS Number | 65423-26-9 |
| Product Smiles | C[C@]12[C@@]3([C@@](C3)(C(=O)C=C1C(Cl)=C[C@@]4([C@@]2(CC[C@@]5(C)[C@]4([C@H](O)C[C@]5(OC(C)=O)C(C)=O)[H])[H])[H])[H])[H] |
| Product Structure |
| Product Name | NADP+ |
| Product Chemical Formula | C21H25N7O17P3-3 |
| Product PubChem CID | 162422398 |
| Product Smiles | C1=CC(=C[N+](=C1)[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)O)OP(=O)([O-])[O-])O)O)C(=O)N |
| 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: | Process development for the production of 15β-hydroxycyproterone acetate using Bacillus megaterium expressing CYP106A2 as whole-cell biocatalyst. |
| PMID: | 25890176 |
| Journal: | Microbial Cell Factories |
| Year: | 2015/3/5 |