PPIRE11475

Target Protein Information
Protein_Name Gag polyprotein
Protein_Sequence MGASASVLTGSKLDAWEQIRLKPGSKKKYRLKHLVWASRELERFACNPELLETAEGNEKLLQQLEPALKTGSDSLQSLWNAIVVLWCVHNRYKIGDTQQAIQKLKEVMGSRKSADAAKEDTSARQAGQNYPIVSNAQGQMVHQAISPRTLNAWVKAVEEKAFNPEIIPMFMALSEGAISYDINTMLNAIGGHQGALQVLKEVINEEAVEWDRTHPPPVGPLPPGQIREPTGSDIAGTTSTQQEQIHWTTRPNQPIPVGDIYRKWIVLGLNKMVKMYSPVSILDIKQGPKEPFRDYVDRFYKTLRAEQATQEVKNWMTETLLVQNANPDCKQILKSLGPGATLEEMMVACQGVGGPTHKARVLAEAMATAQQDLKGGYTAVFMQRGQNPIRKGTIKCFNCGKEGHIARNCRAPRKKGCWKCGQEGHQMKDCRNGKQANFLGKYWPPGGTRPGNYVQRPAHPSAPPMEEEVKGQENQEQKGGPNELYPFASLKSLFGTDQ
Organism_Source Human immunodeficiency virus type 1 group O (isolate ANT70)
Functional_Classification capsid proteins
Cellular_Localization Cytoplasm
Gene_Names gag
UniProt_ID Q77372
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NYAD-13
Peptide_Sequence ITFXDLLXYYGKKK
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O
Chemical_Modification X4=(S)-2-(2-pentenyl)alanine;X8=(S)-2-(2-pentenyl)alanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1602.89
Aliphatic_Index 83.57143
Aromaticity 0.21429
Average_Rotatable_Bonds 3.85714
Charge_at_pH_7 1.99584
Isoelectric_Point 9.86691
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 617.67000
X_logP_energy -2.88500
Interaction Information
Affinity KD=15 uM
Affinity_Assay not reported
PDB_ID 2K1C
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid.
Release_Year 2008
PMID 18417468
DOI 10.1074/jbc.C800048200