PPIRE14642

Target Protein Information
Protein_Name Protein S100-A4
Protein_Sequence MACPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGKRTDEAAFQKLMSNLDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK
Organism_Source Homo sapiens
Functional_Classification S100 proteins
Cellular_Localization Cytoplasm
Gene_Names S100A4
UniProt_ID P26447
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NMII
Peptide_Sequence QRELEDATETADAMNREVSSLKNKLRRGDLPFVVPRRMA
Peptide_Length 39
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification 5(6)-Carboxyfluorescein
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4501.12
Aliphatic_Index 72.56410
Aromaticity 0.02564
Average_Rotatable_Bonds 3.97436
Charge_at_pH_7 1.00581
Isoelectric_Point 9.52296
Number_of_Hydrogen_Bond_Acceptors 64
Number_of_Hydrogen_Bond_Donors 72
Topological_Polar_Surface_Area 2046.27000
X_logP_energy -23.07118
Interaction Information
Affinity KD=106 nM
Affinity_Assay fluorescence anisotropy
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title A Constrained Helical Peptide Against S100A4 Inhibits Cell Motility in Tumor Cells.
Release_Year 2015
PMID 25763457
DOI 10.1111/cbdd.12553