PPIRE13919

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 G1TE(Gla2)-carrier
Peptide_Sequence XLYENVGMYCAAVALLPAVLLALLAP
Peptide_Length 26
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C
Chemical_Modification X1=c-carboxyglutamic acid
Cyclization_Method Main chain-side chain cyclization; N1<->C10; thioether bond
Linear/Cyclic Cyclic
N-terminal_Modification Chloroacetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2646.24
Aliphatic_Index 161.53846
Aromaticity 0.07692
Average_Rotatable_Bonds 3.03846
Charge_at_pH_7 -1.06392
Isoelectric_Point 3.84996
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 30
Topological_Polar_Surface_Area 894.09000
X_logP_energy -2.47670
Interaction Information
Affinity IC50=2 uM
Affinity_Assay whole-cell competitive displacement assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Potentiating effect of distant sites in non-phosphorylated cyclic peptide antagonists of the Grb2-SH2 domain.
Release_Year 2003
PMID 14521914
DOI 10.1016/j.bbrc.2003.09.022