PPIRE16129

Target Protein Information
Protein_Name Protein S100-A4
Protein_Sequence MACPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGKRTDEAAFQKLMSNLDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK
Organism_Source Homo sapiens
Functional_Classification calcium binding proteins
Cellular_Localization Cytoplasm
Gene_Names S100A4
UniProt_ID P26447
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p53 peptide
Peptide_Sequence YSHLKSKKGQSTSRHKKLMFKTE
Peptide_Length 23
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2750.21
Aliphatic_Index 33.91304
Aromaticity 0.08696
Average_Rotatable_Bonds 4.34783
Charge_at_pH_7 6.17895
Isoelectric_Point 11.11770
Number_of_Hydrogen_Bond_Acceptors 43
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1200.90000
X_logP_energy -13.43843
Interaction Information
Affinity KD=50 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural and Thermodynamic Characterization of the Recognition of the S100-Binding Peptides TRTK12 and p53 by Calmodulin
Release_Year 2014
PMID 24947426
DOI 10.1002/pro.2506