PPIRE13412

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 polynucleotidyltransferases
Cellular_Localization Nucleus
Gene_Names gag-pol
UniProt_ID P04586
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name INH5
Peptide_Sequence DQAEHLKTAVQMAVFIHNYKA
Peptide_Length 21
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)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 2414.76
Aliphatic_Index 83.80952
Aromaticity 0.09524
Average_Rotatable_Bonds 3.80952
Charge_at_pH_7 0.18058
Isoelectric_Point 7.70365
Number_of_Hydrogen_Bond_Acceptors 34
Number_of_Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 999.05000
X_logP_energy -8.16150
Interaction Information
Affinity IC50=11 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Peptide inhibitors of HIV-1 integrase dissociate the enzyme oligomers.
Release_Year 2001
PMID 11705373
DOI 10.1021/bi011328n