PPIRE03426

Target Protein Information
Protein_Name Cathepsin B
Protein_Sequence MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCGTFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDRICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCRPYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIMAEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSWNTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Lysosome
Gene_Names CTSB
UniProt_ID P07858
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PB8
Peptide_Sequence SYLKKLCGTVLGGPKL
Peptide_Length 16
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1677.08
Aliphatic_Index 115.62500
Aromaticity 0.06250
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 2.93427
Isoelectric_Point 10.13348
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 629.78000
X_logP_energy -4.45070
Interaction Information
Affinity Ki=11 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Inhibition of cathepsin B by its propeptide: use of overlapping peptides to identify a critical segment.
Release_Year 1996
PMID 8774851
DOI 10.1016/0014-5793(96)00822-8