PPIRE15860

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-3
Peptide_Sequence RCWLQMWQESFDLVAMLGDT
Peptide_Length 20
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=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 2429.81
Aliphatic_Index 78.00000
Aromaticity 0.15000
Average_Rotatable_Bonds 3.90000
Charge_at_pH_7 -2.06133
Isoelectric_Point 3.87600
Number_of_Hydrogen_Bond_Acceptors 32
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 948.24000
X_logP_energy -5.83663
Interaction Information
Affinity KD=4.5 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