PPIRE15859

Target Protein Information
Protein_Name Gag-Pol polyprotein
Protein_Sequence IPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIIDIIATDIQTKELQKQITKIQNFRVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
Organism_Source Human immunodeficiency virus type 1 group M subtype D (isolate Z6)
Functional_Classification integrases
Cellular_Localization Nucleus
Gene_Names gag-pol
UniProt_ID P04586
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name IN-2
Peptide_Sequence PFSNVSSLREPNLEFELVYL
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)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 2353.66
Aliphatic_Index 107.00000
Aromaticity 0.15000
Average_Rotatable_Bonds 3.70000
Charge_at_pH_7 -1.99754
Isoelectric_Point 3.98005
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 934.34000
X_logP_energy -6.94413
Interaction Information
Affinity KD=5.3 uM
Affinity_Assay fluorescence anisotropy
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Correlation Between Shiftide Activity and HIV-1 Integrase Inhibition by a Peptide Selected from a Combinatorial Library
Release_Year 2008
PMID 18201721
DOI 10.1016/j.jmb.2007.11.095