Detail Information
P450 Protein:
| P450 Symbol | CYP121A1 |
| Protein Name | Mycocyclosin synthase |
| Uniprot ID | P9WPP7 |
| EC Number | 1.14.19.70 |
| Gene ID | 888373 |
| 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 | C18H18N2O4 + Fe2S2 + O2 + H+ → C18H16N2O4 + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH3 |
| RheaID | 35547 |
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+
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CYP121A1
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+
Substrate Information:
| Substrate Name | Cyclo(L-Tyrosyl-L-Tyrosyl) |
| Substrate Chemical Formula | C18H18N2O4 |
| Substrate PubChem CID | 11267350 |
| Substrate Smiles | C1=CC(=CC=C1C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CC=C(C=C3)O)O |
| 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 | Mycocyclosin |
| Product Chemical Formula | C18H16N2O4 |
| Product PubChem CID | 59053147 |
| Product Smiles | C1[C@H]2C(=O)N[C@@H](CC3=CC(=C(C=C3)O)C4=C(C=CC1=C4)O)C(=O)N2 |
| 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: | Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis. |
| PMID: | 19416919 |
| Journal: | Proceedings of the National Academy of Sciences of the United States of America |
| Year: | 2009/5/5 |