General Information
DRAVP ID DRAVPe01661
Peptide Name compound 4
Sequence YXIAKYNXXIPC
Sequence Length 12
UniProt ID No entry found
Source Synthetic construct
Activity Information
Target Organism ZIKV,DENV,WNV
Assay protease enzymatic inhibition assay
Activity
Hemolytic Activity No hemolysis information or data found in the reference(s) presented in this entry
Cytotoxicity No cytotoxicity information found in the reference(s) presented
Binding Target NS2B-NS3 protease
Mechanism No machanism information found in the reference(s) presented in this entry
Structure Information
PDB ID None
Predicted Structure Download No predicted structure available
Linear/Cyclic Linear
N-terminal Modification Thioether-acyl moiety (−S-Ac−)(forms a macrocycle through the side chain of the underlined cysteine residue)
C-terminal Modification Amidation
Other Modification The 'X' at position 2 indicates N-methyl-glycine, position 8 and 9 indicates N-methyl-4-O-methyl-tyrosine.
Stereochemistry L
Physicochemical Information
Formula C51H71N11O10S
Absent amino acids DEFGHLMQRSTVW
Common amino acids X
Mass 1418.29
Pl 8.18
Basic residues 1
Acidic residues 0
Hydrophobic residues 3
Net charge 1
Boman Index 46
Hydrophobicity 14.17
Aliphatic Index 73.33
Half Life
Extinction Coefficient cystines 2980
Absorbance 280nm 270.91
Polar residues 4
Literature Information
Literature 1
Title De Novo Discovery of Nonstandard Macrocyclic Peptides as Noncompetitive Inhibitors of the Zika Virus NS2B-NS3 Protease.
Pubmed ID 30783498
Reference ACS Med Chem Lett. 2019 Jan 4;10(2):168-174.
Author Nitsche C, Passioura T, Varava P, Mahawaththa MC, Leuthold MM, Klein CD, Suga H, Otting G.