PPIRE19502

Target Protein Information
Protein_Name Protein S100-B
Protein_Sequence MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDEDGDGECDFQEFMAFVSMVTTACHEFFEHE
Organism_Source Rattus norvegicus
Functional_Classification EF hand calcium binding proteins
Cellular_Localization Cytoplasm
Gene_Names S100b
UniProt_ID P04631
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p53-derived peptide
Peptide_Sequence SHLKSKKGQSTSRHKKLMFKTE
Peptide_Length 22
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](N)CO)[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 2587.04
Aliphatic_Index 35.45455
Aromaticity 0.04545
Average_Rotatable_Bonds 4.36364
Charge_at_pH_7 6.17980
Isoelectric_Point 11.45768
Number_of_Hydrogen_Bond_Acceptors 41
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1151.57000
X_logP_energy -13.87153
Interaction Information
Affinity KD=94.7 uM
Affinity_Assay proton relaxation rate
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title The Ca2+-Dependent Interaction of S100B with a Peptide Derived from p53
Release_Year 1998
PMID 9485322
DOI 10.1021/bi972701n