PPIRE15325

Target Protein Information
Protein_Name Gag polyprotein
Protein_Sequence MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKARVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHTARNCRAPRKKGCWKCGKEGHQMKDCTERQANFLGKIWPSYKGRPGNFLQSRPEPTAPPEESFRSGVETTTPPQKQEPIDKELYPLTSLRSLFGNDPSSQ
Organism_Source Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Functional_Classification capsid proteins
Cellular_Localization Cytoplasm
Gene_Names gag
UniProt_ID P04591
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CAI
Peptide_Sequence ITFEDLLDYYGP
Peptide_Length 12
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=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)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)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 1445.59
Aliphatic_Index 97.50000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 -3.00105
Isoelectric_Point 3.38003
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 547.22000
X_logP_energy -1.65870
Interaction Information
Affinity KD=8.3 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID 2BUO
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Design of antiviral stapled peptides containing a biphenyl cross-linker
Release_Year 2014
PMID 24613163
DOI 10.1016/j.bmcl.2014.02.038