General Information


DRAVP ID  DRAVPe00554

Peptide Name   P21S3

Sequence  LDLXYEMXSLQQVVKALNESY

Sequence Length  21

UniProt ID  No entry found

Taxon ID  None

Source  Synthetic construct

Validation   Experimentally Validated



Origin Information


Gene Name/ID  Not Available

GenBank  Not Available

Amino Acid position  Not Available

Domain Accession ID  Not Available

Nucleotide sequence ID  Not Available

Molecular Type  Not Available

Chromosomal Position  Not Available



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