PPIRE11977

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 a1
Peptide_Sequence QETAYFLLKLAGRWP
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=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 1793.10
Aliphatic_Index 91.33333
Aromaticity 0.20000
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 0.99861
Isoelectric_Point 9.29736
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 686.49000
X_logP_energy -2.68043
Interaction Information
Affinity IC50=3.5 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