PPIRE16627

Target Protein Information
Protein_Name Calmodulin
Protein_Sequence MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEESVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGDNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEAIDALNAFSSEDNIDYKLFCEDILQ
Organism_Source Plasmodium falciparum (isolate 3D7)
Functional_Classification motor proteins
Cellular_Localization Cytoplasm
Gene_Names None
UniProt_ID Q8I4W8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name MyoA(799-818)
Peptide_Sequence NIPSLLRVQAHIRKKMVAQ
Peptide_Length 19
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2202.69
Aliphatic_Index 123.15789
Aromaticity 0.00000
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 4.08830
Isoelectric_Point 12.53175
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 932.35000
X_logP_energy -7.93076
Interaction Information
Affinity KD=0.085 uM
Affinity_Assay binding assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-1rotein Interactions by NMR
Release_Year 2020
PMID 32435424
DOI 10.1021/acsmedchemlett.9b00620