Detail Information
P450 Protein:
| P450 Symbol | cyp51 |
| Protein Name | Sterol 14alpha-demethylase |
| Uniprot ID | P9WPP9 |
| EC Number | 1.14.15.36 |
| Gene ID | 888819 |
| 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 | Cytoplasm |
| Protein Sequence | GO |
Reaction Scheme:
| Chemical Conversion | C20H33R + Fe2S2 + O2 + H+ → C19H29R + CHO2- + Fe2S2 + H2O |
| Reaction Type | Decomposition |
| Chemical Bond | CH3 |
| RheaID | 56752 |
+
+
+
cyp51
+
+
+
Substrate Information:
| Substrate Name | A 14Alpha-Methyl Steroid |
| Substrate Chemical Formula | C20H33R |
| Substrate Smiles | C12C([C@]3(C(C(CC3)*)(C)CC1)C)CCC4C2(CCCC4)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 | A Delta(14) Steroid |
| Product Chemical Formula | C19H29R |
| Product PubChem SID | 85337740 |
| Product Smiles | C12C(C=3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C |
| Product Structure |
| Product Name | formate |
| Product Chemical Formula | CHO2- |
| Product PubChem CID | 283 |
| Product CAS Number | 71-47-6 |
| Product Smiles | C(=O)[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: | Characterization and catalytic properties of the sterol 14alpha-demethylase from Mycobacterium tuberculosis. |
| PMID: | 10430874 |
| Journal: | Proceedings of the National Academy of Sciences of the United States of America |
| Year: | 1999/8/3 |