PPIRE15892

Target Protein Information
Protein_Name Lymphocyte function-associated antigen 3
Protein_Sequence MVAGSDAGRALGVLSVVCLLHCFGFISCFSQQIYGVVYGNVTFHVPSNVPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTVSGSLTIYNLTSSDEDEYEMESPNITDTMKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHRYALIPIPLAVITTCIVLYMNGILKCDRKPDRTNSN
Organism_Source Homo sapiens
Functional_Classification cell adhesion molecules
Cellular_Localization Plasma membrane
Gene_Names CD58
UniProt_ID P19256
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RTD-c
Peptide_Sequence GDCDCKCEAGKCSCYCDA
Peptide_Length 18
Peptide_SMILES C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; G1<-->A18; main chain-main chain cyclization; C3<-->C16; disulfide bond; C5<-->C14; disulfide bond; C7<-->C12; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1874.09
Aliphatic_Index 11.11111
Aromaticity 0.05556
Average_Rotatable_Bonds 3.38889
Charge_at_pH_7 -2.37219
Isoelectric_Point 4.06261
Hydrogen_Bond_Acceptors 33
Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 799.72000
X_logP_energy -11.99120
Interaction Information
Affinity IC50=27 nM
Affinity_Assay cell adhesion assay (Jurkat-OVCAR-3)
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Constrained Cyclic Peptides as Immunomodulatory Inhibitors of the CD2:CD58 Protein-Protein interaction
Release_Year 2016
PMID 27337048
DOI 10.1021/acschembio.6b00486