PPIRE09872

Target Protein Information
Protein_Name None
Protein_Sequence FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
Organism_Source Human immunodeficiency virus type 1
Functional_Classification integrases
Cellular_Localization Nucleus
Gene_Names None
UniProt_ID Q76353
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NL-9
Peptide_Sequence ACWWAGIKQEF
Peptide_Length 11
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)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 1338.55
Aliphatic_Index 53.63636
Aromaticity 0.27273
Average_Rotatable_Bonds 3.63636
Charge_at_pH_7 -0.06251
Isoelectric_Point 6.23183
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 492.31000
X_logP_energy -1.15660
Interaction Information
Affinity IC50=56 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 1K6Y
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Sequence-based design and discovery of peptide inhibitors of HIV-1 integrase: insight into the binding mode of the enzyme.
Release_Year 2006
PMID 16854053
DOI 10.1021/jm060307u