PPIRE17490

Target Protein Information
Protein_Name 14-3-3 protein sigma
Protein_Sequence MERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWTADNAGEEGGEAPQEPQS
Organism_Source Homo sapiens
Functional_Classification adapter proteins
Cellular_Localization Cytoplasm
Gene_Names SFN
UniProt_ID P31947
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p53 CTD 14mer peptide
Peptide_Sequence HKKLMFKXEGPDSD
Peptide_Length 14
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](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification X8=phosphothreonine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1588.80
Aliphatic_Index 27.85714
Aromaticity 0.07143
Average_Rotatable_Bonds 3.92857
Charge_at_pH_7 0.09068
Isoelectric_Point 7.54781
Hydrogen_Bond_Acceptors 24
Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 671.70000
X_logP_energy -6.32910
Interaction Information
Affinity KD=120 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID 5MOC
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3M
Release_Year 2019
PMID 31742997
DOI 10.1021/acschembio.9b00893