PPIRE15785

Target Protein Information
Protein_Name Protein S100-B
Protein_Sequence MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE
Organism_Source Homo sapiens
Functional_Classification calcium binding proteins
Cellular_Localization Cytoplasm
Gene_Names S100B
UniProt_ID P04271
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HDM2(25-47)
Peptide_Sequence ETLVRPKPLLLKLLKSVGAY
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)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 2238.79
Aliphatic_Index 151.00000
Aromaticity 0.05000
Average_Rotatable_Bonds 3.70000
Charge_at_pH_7 2.99802
Isoelectric_Point 10.63646
Number_of_Hydrogen_Bond_Acceptors 29
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 836.59000
X_logP_energy -3.30173
Interaction Information
Affinity KD=0.5 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Thermodynamic and Kinetics Analysis of Peptides Derived from CapZ NDR p53 HDM2 and HDM4 Binding to Human S100B
Release_Year 2012
PMID 22913742
DOI 10.1021/bi300865g