PPIRE15979

Target Protein Information
Protein_Name Growth factor receptor-bound protein 2
Protein_Sequence MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
Organism_Source Homo sapiens
Functional_Classification adaptor proteins
Cellular_Localization Cytoplasm
Gene_Names GRB2
UniProt_ID P62993
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name pY1188
Peptide_Sequence KNGDLQALDNPEpYHNASNGP
Peptide_Length 21
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O
Chemical_Modification pY12=phosphotyrosine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification biotin
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2251.35
Aliphatic_Index 46.66667
Aromaticity 0.04762
Average_Rotatable_Bonds 3.28571
Charge_at_pH_7 -1.90958
Isoelectric_Point 4.36607
Number_of_Hydrogen_Bond_Acceptors 34
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 1041.46000
X_logP_energy -14.37560
Interaction Information
Affinity KD=74.5 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Molecular Dynamics Free Energy and SPR Analyses of the Interactions between the SH2 Domain of Grb2 and ErbB Phosphotyrosyl Peptides
Release_Year 2003
PMID 12731860
DOI 10.1021/bi034113h