PPIRE18204

Target Protein Information
Protein_Name Genome polyprotein
Protein_Sequence KHAQRIETWILRHPGFTIMAAILAYTIGTTHFQRALIFILLTAVAPSMTMRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPVTLRKYCIEAKLTNTTTESRCPIQGEPSLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMKGKVVQPENLEYTIVITPHSGEEHAVGNDTGKHGKEIKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMENKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPEQLKLNWFKKGSSIGQMFETTMRGAKRMAILGDTAWDFGSLGGVFTSIGKALHQVFGAIYGAAFSGVSWTMKILIGVIITWIGMNSRSTSLSVSLVLVGIVTLYLEVMVQADSGCVVSWKNK
Organism_Source Dengue virus type 2 (strain Thailand/TH-36/1958)
Functional_Classification Genome polyprotein
Cellular_Localization Extracellular
Gene_Names None
UniProt_ID P29984
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name peptide 3
Peptide_Sequence QFGPVFTWLNHA
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1416.60
Aliphatic_Index 65.00000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.25000
Charge_at_pH_7 0.08889
Isoelectric_Point 7.55032
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 525.51000
X_logP_energy -2.71240
Interaction Information
Affinity KD=600 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title open peptides targeting dengue viral nonstructural protein 1 inhibit dengue virus production
Release_Year 2020
PMID 32737386
DOI 10.1038/s41598-020-69515-9