Detail Information
P450 Protein:
| P450 Symbol | CYP142A1 |
| Protein Name | Steroid C26-monooxygenase |
| Uniprot ID | P9WPL5 |
| EC Number | 1.14.15.28 |
| Gene ID | 45427501 |
| Species | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
| Txid | 83332 |
| 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 | C27H44O2 + Fe2S2 + O2 + H+ → C27H42O2 + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH2-OH |
| RheaID | 51568 |
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CYP142A1
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Substrate Information:
| Substrate Name | (25S)-3-Oxocholest-4-En-26-Ol |
| Substrate Chemical Formula | C27H44O2 |
| Substrate PubChem CID | 66932809 |
| Substrate Smiles | C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)CO |
| 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 | (25S)-3-Oxocholest-4-En-26-Al |
| Product Chemical Formula | C27H42O2 |
| Product PubChem CID | 86290156 |
| Product Smiles | C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C=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: | Functional redundancy of steroid C26-monooxygenase activity in Mycobacterium tuberculosis revealed by biochemical and genetic analyses. |
| PMID: | 20843794 |
| Journal: | The Journal of biological chemistry |
| Year: | 2010/11/19 |