PPIRE19427

Target Protein Information
Protein_Name Growth factor receptor-bound protein 2
Protein_Sequence MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV
Organism_Source Homo sapiens
Functional_Classification SH2 domain containing
Cellular_Localization Cytoplasm
Gene_Names GRB2
UniProt_ID P62993
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name cyclo(YpVNFPhirpPRR)
Peptide_Sequence YpVNFrpPRR
Peptide_Length 10
Peptide_SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification Yp1=L-phosphotyrosine; Phi5=L-2-naphthylalanine; r6=D-arginine; p7=D-proline
Cyclization_Method Main chain-main chain cyclization; Yp1<-->R10; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1358.57
Aliphatic_Index 26.36364
Aromaticity 0.18182
Average_Rotatable_Bonds 3.36364
Charge_at_pH_7 2.99712
Isoelectric_Point 12.20421
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 576.97000
X_logP_energy -5.09149
Interaction Information
Affinity IC50=0.4 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational design of cell-permeable cyclic peptides containing a D-Pro-L-Pro motif
Release_Year 2020
PMID 33069067
DOI 10.1016/j.bmc.2020.115711