PPIRE18597

Target Protein Information
Protein_Name Merozoite surface protein 2
Protein_Sequence MKVIKTLSIINFFIFVTFNIKNESKYSNTFINNAYNMSIRRSMAESNPSTGAGGSGSAGGSGSAGGSGSAGGSGSAGGSGSAGSGDGNGANPGADAERSPSTPATTTTTTTTNDAEASTSTSSENPNHNNAETNPKGKGEVQKPNQANKETQNNSNVQQDSQTKSNVPPTQDADTKSPTAQPEQAENSAPIAEQTESPELQSAPENKGTGQHGHMHGSRNNHPQNTSDSQKECTDGNKENCGAAPSLLSNSSNIASINKFVVLISATLVLSFAIFI
Organism_Source Plasmodium falciparum (isolate 7G8)
Functional_Classification surface proteins
Cellular_Localization Extracellular
Gene_Names MSP2
UniProt_ID Q99320
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name peptide 1
Peptide_Sequence KNESKYSNTFINNAYNMSIR
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2394.64
Aliphatic_Index 44.00000
Aromaticity 0.15000
Average_Rotatable_Bonds 4.05000
Charge_at_pH_7 1.99747
Isoelectric_Point 9.92855
Hydrogen_Bond_Acceptors 37
Hydrogen_Bond_Donors 38
Topological_Polar_Surface_Area 1104.29000
X_logP_energy -14.26523
Interaction Information
Affinity KD=72 nM
Affinity_Assay binding assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Distorting Malaria Peptide Backbone Structure to Enable Fitting into MHC Class II Molecules Renders Modified Peptides Immunogenic and Protective
Release_Year 2003
PMID 12747797
DOI 10.1021/jm020440w