PPIRE07400
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[GDEEAGE] |
|---|---|
| Peptide_Sequence | GDEEAGE |
| Peptide_Length | 7 |
| Peptide_SMILES | C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)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 | 705.63 |
|---|---|
| Aliphatic_Index | 14.28571 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.42857 |
| Charge_at_pH_7 | -3.99624 |
| Isoelectric_Point | 3.33171 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 387.12000 |
| X_logP_energy | -5.34110 |
Interaction Information
| Affinity | KD=260 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 |