PPIRE08119

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 XVI
Peptide_Sequence EAEFAARYLNGAAYF
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)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 1692.85
Aliphatic_Index 59.33333
Aromaticity 0.26667
Average_Rotatable_Bonds 3.40000
Charge_at_pH_7 -1.00017
Isoelectric_Point 4.25815
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 690.77000
X_logP_energy -4.78723
Interaction Information
Affinity Ki=0.81 uM
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