PPIRE15858

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-1
Peptide_Sequence WQCLTLTHRGFVLLTITVLR
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[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 2370.88
Aliphatic_Index 146.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 2.02691
Isoelectric_Point 10.52739
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 908.50000
X_logP_energy -4.99296
Interaction Information
Affinity KD=8.7 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