PPIRE07182

Target Protein Information
Protein_Name Growth factor receptor-bound protein 2
Protein_Sequence MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
Organism_Source Homo sapiens
Functional_Classification SH2 domain-containing protein
Cellular_Localization Cytoplasm
Gene_Names GRB2
UniProt_ID P62993
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Z-pY-(aMe)pY-N-NH2
Peptide_Sequence pYXpYNN
Peptide_Length 7
Peptide_SMILES NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O
Chemical_Modification X2=alpha-methylphosphotyrosine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Benzyloxycarbonyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 823.86
Aliphatic_Index 0.00000
Aromaticity 0.28571
Average_Rotatable_Bonds 2.85714
Charge_at_pH_7 -0.00372
Isoelectric_Point 6.08660
Number_of_Hydrogen_Bond_Acceptors 12
Number_of_Hydrogen_Bond_Donors 11
Topological_Polar_Surface_Area 341.78000
X_logP_energy -3.48320
Interaction Information
Affinity IC50=13 nM
Affinity_Assay ELISA
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Crystal structures of the SH2 domain of Grb2: highlight on the binding of a new high-affinity inhibitor.
Release_Year 2002
PMID 11827484
DOI 10.1006/jmbi.2001.5299