Detail Information
P450 Protein:
| P450 Symbol | cyp128 |
| Protein Name | Beta-dihydromenaquinone-9 omega-hydroxylase (EC 1.14.15.27) (Cytochrome P450 128) |
| Uniprot ID | P9WPN7 |
| EC Number | 1.14.15.27 |
| Gene ID | 888025 |
| 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 | C56H82O2 + Fe2S2 + O2 + H+ → C56H82O3 + Fe2S2 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH |
| RheaID | 56680 |
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cyp128
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+
Substrate Information:
| Substrate Name | beta-dihydromenaquinone-9 |
| Substrate Chemical Formula | C56H82O2 |
| Substrate PubChem CID | 52929834 |
| Substrate Smiles | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)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 | omega-hydroxy-beta-dihydromenaquinone-9 |
| Product Chemical Formula | C56H82O3 |
| Product PubChem CID | 102515149 |
| Product Smiles | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CO |
| 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: | Deciphering the biology of Mycobacterium tuberculosis from the complete genome sequence. |
| PMID: | 9634230 |
| Journal: | Nature |
| Year: | 2016/11/11 |
| Title: | Biosynthesis and Regulation of Sulfomenaquinone, a Metabolite Associated with Virulence in Mycobacterium tuberculosis. |
| PMID: | 27933784 |
| Journal: | ACS infectious diseases |
| Year: | 1998/6/11 |