PPIRE12742

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-A
Peptide_Sequence YGRKKRRQRRRGGGLLL
Peptide_Length 17
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)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 2070.48
Aliphatic_Index 68.82353
Aromaticity 0.05882
Average_Rotatable_Bonds 4.47059
Charge_at_pH_7 7.99652
Isoelectric_Point 12.80804
Number_of_Hydrogen_Bond_Acceptors 28
Number_of_Hydrogen_Bond_Donors 40
Topological_Polar_Surface_Area 1015.68000
X_logP_energy -11.12958
Interaction Information
Affinity IC50=2.5 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