PPIRE07398
Target Protein Information
| Protein_Name | Kelch-like ECH-associated protein 1 |
|---|---|
| Protein_Sequence | MQPDPRPSGAGACCRFLPLQSQCPEGAGDAVMYASTECKAEVTPSQHGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGEVAKQEEFFNLSHCQLVTLISRDDLNVRCESEVFHACINWVKYDCEQRRFYVQALLRAVRCHSLTPNFLQMQLQKCEILQSDSRCKDYLVKIFEELTLHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC |
| Organism_Source | Homo sapiens |
| Functional_Classification | ubiquitin ligase adaptor |
| Cellular_Localization | Cytoplasm |
| Gene_Names | KEAP1 |
| UniProt_ID | Q14145 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | c[GAPETGE] |
|---|---|
| Peptide_Sequence | GAPETGE |
| Peptide_Length | 7 |
| Peptide_SMILES | C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-main chain cyclization; G1<->E7; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 659.65 |
|---|---|
| Aliphatic_Index | 14.28571 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.71429 |
| Charge_at_pH_7 | -1.99847 |
| Isoelectric_Point | 3.61369 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 323.96000 |
| X_logP_energy | -4.79360 |
Interaction Information
| Affinity | KD=98 uM |
|---|---|
| Affinity_Assay | fluorescence anisotropy |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. |
| Release_Year | 2021 |
| PMID | 33683866 |
| DOI | 10.1021/jacs.0c09799 |