PPIRE12916

Target Protein Information
Protein_Name Proteasome subunit beta type-5
Protein_Sequence MALASVLERPLPVNQRGFFGLGGRADLLDLGPGSLSDGLSLAAPGWGVPEEPGIEMLHGTTTLAFKFRHGVIVAADSRATAGAYIASQTVKKVIEINPYLLGTMAGGAADCSFWERLLARQCRIYELRNKERISVAAASKLLANMVYQYKGMGLSMGTMICGWDKRGPGLYYVDSEGNRISGATFSVGSGSVYAYGVMDRGYSYDLEVEQAYDLARRAIYQATYRDAYSGGAVNLYHVREDGWIRVSSDNVADLHEKYSGSTP
Organism_Source Homo sapiens
Functional_Classification proteasome
Cellular_Localization Cytoplasm
Gene_Names PSMB5
UniProt_ID P28074
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Tat-B
Peptide_Sequence YGRKKRRQRRRGGGYLFL
Peptide_Length 18
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification aldehyde
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2267.67
Aliphatic_Index 43.33333
Aromaticity 0.16667
Average_Rotatable_Bonds 4.44444
Charge_at_pH_7 7.99567
Isoelectric_Point 12.51326
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1065.01000
X_logP_energy -10.49988
Interaction Information
Affinity IC50=4.28 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 3MG0
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Novel Cell-Penetrating Peptide Conjugated Proteasome Inhibitors: Anticancer and Antifungal Investigations.
Release_Year 2020
PMID 31801019
DOI 10.1021/acs.jmedchem.9b01694