PPIRE01886

Target Protein Information
Protein_Name Procathepsin L
Protein_Sequence MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRAVWEKNMKMIELHNQEYREGKHSFTMAMNAFGDMTSEEFRQVMNGFQNRKPRKGKVFQEPLFYEAPRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Lysosome
Gene_Names CTSL
UniProt_ID P07711
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PEP2
Peptide_Sequence PGRCYQKIPAFYYNQKKKQVEGFTWSGCGG
Peptide_Length 30
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method C4<->C28; side chain cyclization; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3441.93
Aliphatic_Index 26.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.70000
Charge_at_pH_7 3.87208
Isoelectric_Point 9.71707
Number_of_Hydrogen_Bond_Acceptors 48
Number_of_Hydrogen_Bond_Donors 50
Topological_Polar_Surface_Area 1377.02000
X_logP_energy -13.12963
Interaction Information
Affinity Ki=1.96 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A Kunitz-type peptide from Dendroaspis polylepis venom as a simultaneous inhibitor of serine and cysteine proteases.
Release_Year 2020
PMID 33088285
DOI 10.1590/1678-9199-JVATITD-2020-0037