Detail Information
P450 Protein:
| P450 Symbol | ENCR |
| Protein Name | Putative enoyl-CoA reductase |
| Uniprot ID | Q57ZC7 |
| Gene ID | 22575833 |
| Species | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) |
| Txid | 185431 |
| 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 | C22H20O9 + C21H26N7O17P3-4 + O2 + H+ → C22H20O10 + C21H25N7O17P3-3 + H2O |
| Reaction Type | Oxidation |
| Chemical Bond | CH2 |
| Solvents | Water |
| Conditions | pH 7.5, 30°C |
+
+
+
ENCR
+
+
Substrate Information:
| Substrate Name | 5-Deoxyenterocin |
| Substrate Chemical Formula | C22H20O9 |
| Substrate PubChem CID | 162941718 |
| Substrate Smiles | COC1=CC(=O)OC(=C1)C2C3(CC4CC2(C([C@H]3C(=O)C5=CC=CC=C5)(C(=O)O4)O)O)O |
| Substrate Structure |
| Substrate Name | NADPH(4-) |
| Substrate Chemical Formula | C21H26N7O17P3-4 |
| Substrate PubChem CID | 15983949 |
| Substrate Smiles | C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O |
| 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 | Enterocin |
| Product Chemical Formula | C22H20O10 |
| Product PubChem CID | 75358294 |
| Product Smiles | COC1=CC(=O)OC(=C1)C2C3(CC4C(C2([C@@H](C3(C(=O)O4)O)C(=O)C5=CC=CC=C5)O)O)O |
| Product Structure |
| Product Name | NADP+ |
| Product Chemical Formula | C21H25N7O17P3-3 |
| Product PubChem CID | 162422398 |
| Product Smiles | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)([O-])[O-])O)O)C(=O)N |
| 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: | Enzymatic total synthesis of enterocin polyketides. |
| PMID: | 17704772 |
| Journal: | Nature Chemical Biology (2007) |
| Year: | 2007/8/12 |