PPIRE17497

Target Protein Information
Protein_Name Microtubule-associated protein 1 light chain 3 beta
Protein_Sequence MPSEKTFKQRRTFEQRVEDVRLIREQHPTKIPVIIERYKGEKQLPVLDKTKFLVPDHVNMSELIKIIRRRLQLNANQAFFLLVNGHSMVSVSTPISEVYESEKDEDGFLYMVYASQETFGMKLSV
Organism_Source Homo sapiens
Functional_Classification autophagy adapter
Cellular_Localization Cytoplasm
Gene_Names MAP1LC3B
UniProt_ID Q9GZQ8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Comb2
Peptide_Sequence RDDAVXDIICDEEXCQIQEW
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Chemical_Modification X6=2-naphthylalanine; X14=tert-butylalanine
Cyclization_Method Side chain-side chain cyclization; C10<-->C15; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2294.45
Aliphatic_Index 78.00000
Aromaticity 0.05000
Average_Rotatable_Bonds 3.85000
Charge_at_pH_7 -6.11886
Isoelectric_Point 3.44678
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 1041.19000
X_logP_energy -10.44243
Interaction Information
Affinity KD=0.26 uM
Affinity_Assay Bio-Layer Interferometry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Stapled peptide inhibitors of autophagy adapter LC3B
Release_Year 2020
PMID 32406996
DOI 10.1002/cbic.202000212