General Information


DRAVP ID  DRAVPe00554

Peptide Name   P21S3

Sequence  LDLXYEMXSLQQVVKALNESY

Sequence Length  21

UniProt ID  No entry found

Source  Synthetic construct



Activity Information


Target Organism  MERS-CoV

Assay  Inhibition of MERS-CoV S-Protein-Mediated Cell–Cell Fusion Assay

Activity 

  • [Ref.29442512]MERS-CoV:inhibition of cell-cell fusion in Huh-7 cells(EC50>50 μM).

Hemolytic Activity  No hemolysis information or data found in the reference(s) presented in this entry

Cytotoxicity 

  • No cytotoxicity information or data found in the reference(s) presented in this entry

Binding Target  membrane

Mechanism  The peptide inhibits MERS-CoV infection and its spike (S) protein-mediated cell–cell fusion.



Structure Information


PDB ID  None

Predicted Structure Download  No predicted structure available

Linear/Cyclic  Cyclic

N-terminal Modification  Acetylation

C-terminal Modification  Amidation

Other Modification  ①The 'X' (position: 4 and 8) in sequence indicates S5 stapling amino acid. Note: S5 is (S)-pentenyl alanine. ②X (4) and X (8) are cross-linked by hydrocarbon stapling.

Stereochemistry  L



Physicochemical Information


Formula  C100H155N23O31S

Absent amino acids  CFGHIPRTW

Common amino acids  L

Mass  2466.22

Pl  4.14

Basic residues  1

Acidic residues  3

Hydrophobic residues  7

Net charge  -2

Boman Index  -2077

Hydrophobicity  -8.57

Aliphatic Index  106.67

Half Life 

  •     Mammalian:5.5 hour
  •     Yeast:3 min
  •     E.coli:2 min

Extinction Coefficient cystines  2980

Absorbance 280nm  149

Polar residues  5



Literature Information


Literature 1

Title   Discovery of Hydrocarbon-Stapled Short α-Helical Peptides as Promising Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Fusion Inhibitors. 

Pubmed ID   29442512

Reference   J Med Chem. 2018 Mar 8;61(5):2018-2026.

Author   Wang C, Xia S, Zhang P, Zhang T, Wang W, Tian Y, Meng G, Jiang S, Liu K.

DOI   10.1021/acs.jmedchem.7b01732