PPIRE15893

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 SFTI-a
Peptide_Sequence CKASAPPSCYDGDD
Peptide_Length 14
Peptide_SMILES C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; C1<-->D14; main chain-main chain cyclization; C1<-->C9; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1428.51
Aliphatic_Index 14.28571
Aromaticity 0.07143
Average_Rotatable_Bonds 2.92857
Charge_at_pH_7 -2.12577
Isoelectric_Point 3.82608
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 622.65000
X_logP_energy -9.27010
Interaction Information
Affinity KD=14.6 uM
Affinity_Assay Surface Plasmon Resonance
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