PPIRE10185

Target Protein Information
Protein_Name None
Protein_Sequence FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Organism_Source Human immunodeficiency virus type 1
Functional_Classification endonucleases
Cellular_Localization Nucleus
Gene_Names None
UniProt_ID Q76353
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name a3
Peptide_Sequence STTVKAASWWA
Peptide_Length 11
Peptide_SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1207.35
Aliphatic_Index 53.63636
Aromaticity 0.18182
Average_Rotatable_Bonds 3.09091
Charge_at_pH_7 0.99769
Isoelectric_Point 9.70000
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 492.84000
X_logP_energy -4.71480
Interaction Information
Affinity IC50=1 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Interfacial peptide inhibitors of HIV-1 integrase activity and dimerization.
Release_Year 2003
PMID 12643937
DOI 10.1016/S0960-894X(03)00040-4