PPIRE08169
Target Protein Information
| Protein_Name | Lymphocyte function-associated antigen 3 |
|---|---|
| Protein_Sequence | MVAGSDAGRALGVLSVVCLLHCFGFISCFSQQIYGVVYGNVTFHVPSNVPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTVSGSLTIYNLTSSDEDEYEMESPNITDTMKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHRYALIPIPLAVITTCIVLYMNGILKCDRKPDRTNSN |
| Organism_Source | Homo sapiens |
| Functional_Classification | immunoglobulin superfamily |
| Cellular_Localization | Plasma membrane |
| Gene_Names | CD58 |
| UniProt_ID | P19256 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 7 |
|---|---|
| Peptide_Sequence | KIYDXYIS |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)O |
| Chemical_Modification | X5=dibenzofuran |
| Cyclization_Method | Main chain-main chain cyclization; K1<->S8; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 958.08 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -0.00357 |
| Isoelectric_Point | 6.32401 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 391.03000 |
| X_logP_energy | -1.99190 |
Interaction Information
| Affinity | IC50=11.1 nM |
|---|---|
| Affinity_Assay | lymphocyte epithelial adhesion assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Conformationally constrained peptides from CD2 to modulate protein-protein interactions between CD2 and CD58. |
| Release_Year | 2011 |
| PMID | 21755948 |
| DOI | 10.1021/jm200004e |