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 | C15H22N6O5S + C24H38N7O19P3S + C7H6O2 → C21H16O6 + C21H14O5 + C22H20O10 |
| Reaction Type | Oxidation |
| Chemical Bond | |
| Solvents | Water |
| Conditions | pH 7.5, 30°C |
+
+
ENCR
+
+
Substrate Information:
| Substrate Name | S-Adenosyl-L-methionine |
| Substrate Chemical Formula | C15H22N6O5S |
| Substrate PubChem CID | 34755 |
| Substrate Smiles | C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| Substrate Structure |
| Substrate Name | Malonyl CoA |
| Substrate Chemical Formula | C24H38N7O19P3S |
| Substrate PubChem CID | 644066 |
| Substrate CAS Number | 524-14-1 |
| Substrate Smiles | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O |
| Substrate Structure |
| Substrate Name | Benzoic acid |
| Substrate Chemical Formula | C7H6O2 |
| Substrate PubChem CID | 243 |
| Substrate CAS Number | 65-85-0 |
| Substrate Smiles | C1=CC=C(C=C1)C(=O)O |
| Substrate Structure |
Product Information:
| Product Name | Wailupemycin F |
| Product Chemical Formula | C21H16O6 |
| Product PubChem CID | 54712251 |
| Product CAS Number | 426816-67-3 |
| Product Smiles | O=C1OC(=CC(O)=C1)C=2C(=CC(O)=C3C(=O)CC(O)CC32)C=4C=CC=CC4 |
| Product Structure |
| Product Name | Wailupemycin G |
| Product Chemical Formula | C21H14O5 |
| Product PubChem CID | 54712252 |
| Product CAS Number | 426264-58-6 |
| Product Smiles | C1=CC=C(C=C1)C2=CC(=C3C(=C2C4=CC(=CC(=O)O4)O)C=CC=C3O)O |
| Product Structure |
| Product Name | Enterocin |
| Product Chemical Formula | C22H20O10 |
| Product PubChem CID | 23654446 |
| Product CAS Number | 59678-46-5 |
| Product Smiles | O=C1OC(=CC(OC)=C1)C2C3(O)C(O)C4OC(=O)C(O)(C3C(=O)C=5C=CC=CC5)C2(O)C4 |
| Product Structure |
References:
| Title: | Enzymatic total synthesis of enterocin polyketides. |
| PMID: | 17704772 |
| Journal: | Nature Chemical Biology (2007) |
| Year: | 2007/8/12 |