PPIRE09817

Target Protein Information
Protein_Name Growth factor receptor-bound protein 2
Protein_Sequence MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
Organism_Source Homo sapiens
Functional_Classification SH2 domains
Cellular_Localization Cytoplasm
Gene_Names GRB2
UniProt_ID P62993
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide 20
Peptide_Sequence XFYXNVGXXX
Peptide_Length 10
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Chemical_Modification X1=3-carboxyglutamic acid; X4=1-amino-1-cyclohexanecarboxylic acid; X8=neopentylglycine; X9=4-aminophenylalanine; X10=R-cysteine sulfoxide
Cyclization_Method Main chain-side chain cyclization; X1<->C10; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification N-Chloroacetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 883.92
Aliphatic_Index 29.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 2.60000
Charge_at_pH_7 -0.00287
Isoelectric_Point 6.09320
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 388.54000
X_logP_energy -5.72770
Interaction Information
Affinity IC50=0.026 uM
Affinity_Assay ELISA
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Structural basis for a non-phosphorus-containing cyclic peptide binding to Grb2-SH2 domain with high affinity.
Release_Year 2003
PMID 12878216
DOI 10.1016/S0006-291X(03)01291-9