Detail Information
P450 Protein:
| P450 Symbol | cyp125A1 |
| Protein Name | Steroid C26-monooxygenase |
| Uniprot ID | P9WPP0 |
| EC Number | 1.14.15.29 |
| Species | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) |
| Txid | 83331 |
| 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 | C27H44O + Fe2S2 + O2 + H+ → C27H41O3- + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH3 |
| RheaID | 51564 |
+
+
+
cyp125A1
+
+
Substrate Information:
| Substrate Name | Cholest-4-En-3-One |
| Substrate Chemical Formula | C27H44O |
| Substrate PubChem CID | 91477 |
| Substrate Smiles | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)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 | (25S)-3-Oxocholest-4-En-26-Oate |
| Product Chemical Formula | C27H41O3- |
| Product PubChem CID | 70698394 |
| Product Smiles | C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)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: | Mycobacterium tuberculosis CYP125A1, a steroid C27 monooxygenase that detoxifies intracellularly generated cholest-4-en-3-one. |
| PMID: | 20545858 |
| Journal: | Molecular microbiology |
| Year: | 2010/8/1 |