Detail Information
P450 Protein:
| P450 Symbol | CYP107BR1 |
| Protein Name | Vitamin D(3) 25-hydroxylase |
| Uniprot ID | C4B644 |
| EC Number | 1.14.15.15 |
| Species | Pseudonocardia autotrophica (Amycolata autotrophica) (Nocardia autotrophica) |
| Txid | 2074 |
| P450 Protein Structure |
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
|
| Subcellular Location | Cytoplasm |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C27H48O3 + Fe2S2 + O2 + H+ → C27H45O5- + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH3 |
| RheaID | 34631 |
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CYP107BR1
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Substrate Information:
| Substrate Name | 5Beta-Cholestane-3Alpha,7Alpha,12Alpha-Triol |
| Substrate Chemical Formula | C27H48O3 |
| Substrate PubChem CID | 160520 |
| Substrate Smiles | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| 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 | (25R)-3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholestan-26-Oate |
| Product Chemical Formula | C27H45O5- |
| Product PubChem CID | 45266747 |
| Product Smiles | C[C@H](CCC[C@@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| 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: | Purification, characterization, and directed evolution study of a vitamin D3 hydroxylase from Pseudonocardia autotrophica. |
| PMID: | 19450562 |
| Journal: | Biochemical and biophysical research communications |
| Year: | 2009/7/24 |