PPIRE13601

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 p53F385W
Peptide_Sequence SHLKSKKGQSTSRHKKLMWKTE
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](Cc1c[nH]c2ccccc12)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 2626.08
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 43
Topological_Polar_Surface_Area 1167.36000
X_logP_energy -13.39023
Interaction Information
Affinity KD=182.3 nM
Affinity_Assay fluorescence spectroscopy
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Location of the Zn(2+)-binding site on S100B as determined by NMR spectroscopy and site-directed mutagenesis.
Release_Year 2003
PMID 14621986
DOI 10.1021/bi035334q