PPIRE19172

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 MIIA1893-1923
Peptide_Sequence RRKLQRELEDATETADAMNREVSSLKNKLRR
Peptide_Length 31
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](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)[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)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3715.21
Aliphatic_Index 69.35484
Aromaticity 0.00000
Average_Rotatable_Bonds 4.38710
Charge_at_pH_7 3.00507
Isoelectric_Point 10.99059
Number_of_Hydrogen_Bond_Acceptors 55
Number_of_Hydrogen_Bond_Donors 66
Topological_Polar_Surface_Area 1819.77000
X_logP_energy -22.26678
Interaction Information
Affinity KD=0.34 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structure of Ca2+-Bound S100A4 and Its Interaction with Peptides Derived from Nonmuscle Myosin-IIA
Release_Year 2008
PMID 18410126
DOI 10.1021/bi702537s