PPIRE01269

Target Protein Information
Protein_Name Kelch-like ECH-associated protein 1
Protein_Sequence MQPEPKLSGAPRSSQFLPLWSKCPEGAGDAVMYASTECKAEVTPSQDGNRTFSYTLEDHTKQAFGVMNELRLSQQLCDVTLQVKYEDIPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISVGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCTELHQRAREYIYMHFGEVAKQEEFFNLSHCQLATLISRDDLNVRCESEVFHACIDWVKYDCPQRRFYVQALLRAVRCHALTPRFLQTQLQKCEILQADARCKDYLVQIFQELTLHKPTQAVPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
Organism_Source Mus musculus
Functional_Classification E3 ubiquitin ligases
Cellular_Localization Cytoplasm
Gene_Names Keap1
UniProt_ID Q9Z2X8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Nrf2-DLGex
Peptide_Sequence MDLIDILWRQDIDLGVSREVFDFSQRQKDYELEKQ
Peptide_Length 35
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4329.85
Aliphatic_Index 94.57143
Aromaticity 0.11429
Average_Rotatable_Bonds 4.31429
Charge_at_pH_7 -3.99546
Isoelectric_Point 4.11135
Number_of_Hydrogen_Bond_Acceptors 58
Number_of_Hydrogen_Bond_Donors 64
Topological_Polar_Surface_Area 1875.00000
X_logP_energy -14.40459
Interaction Information
Affinity KD=0.53 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 3WN7
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Kinetic, thermodynamic, and structural characterizations of the association between Nrf2-DLGex degron and Keap1.
Release_Year 2013
PMID 24366543
DOI 10.1128/MCB.01191-13