PPIRE01286

Target Protein Information
Protein_Name Calmodulin
Protein_Sequence MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEESVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGDNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEAIDALNAFSSEDNIDYKLFCEDILQ
Organism_Source Plasmodium falciparum (isolate 3D7)
Functional_Classification Adaptor proteins
Cellular_Localization Cytoplasm
Gene_Names None
UniProt_ID Q8I4W8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name pGly[801-805] R806A control
Peptide_Sequence XTIVXLDISGYELNPL
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O
Chemical_Modification X1=(4 )-pentenyl glycine; X5=(4 )-pentenyl glycine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1660.88
Aliphatic_Index 140.00000
Aromaticity 0.06250
Average_Rotatable_Bonds 3.25000
Charge_at_pH_7 -2.00064
Isoelectric_Point 3.55007
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 669.41000
X_logP_energy -5.50650
Interaction Information
Affinity IC50=9.8 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Crystal structures of stapled and hydrogen bond surrogate peptides targeting a fully buried protein-helix interaction.
Release_Year 2014
PMID 25084543
DOI 10.1021/cb500271c