PPIRE15984

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 pY1242
Peptide_Sequence PEKAKKAFDNPDpYWNHSLPP
Peptide_Length 21
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
Chemical_Modification pY14=phosphotyrosine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification biotin
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2451.72
Aliphatic_Index 28.09524
Aromaticity 0.14286
Average_Rotatable_Bonds 3.38095
Charge_at_pH_7 0.08983
Isoelectric_Point 7.54000
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 30
Topological_Polar_Surface_Area 957.24000
X_logP_energy -7.54520
Interaction Information
Affinity KD=94.7 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