PPIRE08194

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 Peptide 2
Peptide_Sequence SLKIDNLD
Peptide_Length 8
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method Main chain-main chain cyclization; S1<->D8; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification None
C-terminal_Modification None
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 917.03
Aliphatic_Index 146.25000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -1.00142
Isoelectric_Point 4.10925
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 14
Topological_Polar_Surface_Area 430.96000
X_logP_energy -4.12370
Interaction Information
Affinity IC50=70 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Release_Year 2011
PMID 21850718
DOI 10.1002/cbic.201100350