PPIRE07923

Target Protein Information
Protein_Name Cysteine proteinase B
Protein_Sequence MATSRAALCAVAVVCVVLAAACAPARAIHVGTPAAALFEEFKRTYGRAYETLAEEQQRLANFERNLELMREHQARNPHAQFGITKFFDLSEAEFAARYLNGAAYFAAAKRHAAQHYRKARADLSAVPDAVDWREKGAVTPVKDQGACGSCWAFSAVGNIEGQWYLAGHELVSLSEQQLVSCDDMNDGCDGGLMLQAFDWLLQNTNGHLHTEDSYPYVSGNGYVPECSNSSELVVGAQIDGHVLIGSSEKAMAAWLAKNGPIAIALDASSFMSYKSGVLTACIGKQLNHGVLLVGYDMTGEVPYWVIKNSWGGDWGEQGYVRVVMGVNACLLSEYPVSAHVRESAAPGTSTSSETPAPRPVMVEQVICFDKNCTQGCRKTLIKANECHKNGGGGASMIKCSPQKVTMCTYSNEFCVGGGLCFETPDGKCAPYFLGSIMNTCHYT
Organism_Source Leishmania mexicana
Functional_Classification cysteine proteinases
Cellular_Localization Lysosome
Gene_Names LMCPB
UniProt_ID P36400
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide V
Peptide_Sequence YRFFRNRF
Peptide_Length 8
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Abz
C-terminal_Modification Q-EDDnp
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1205.39
Aliphatic_Index 0.00000
Aromaticity 0.50000
Average_Rotatable_Bonds 4.62500
Charge_at_pH_7 2.99712
Isoelectric_Point 12.20421
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 516.04000
X_logP_energy -2.86649
Interaction Information
Affinity Ki=39 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Identification of peptides inhibitory to recombinant cysteine proteinase, CPB, of Leishmania mexicana.
Release_Year 2001
PMID 11356516
DOI 10.1016/S0166-6851(01)00239-0