PPIRE02158

Target Protein Information
Protein_Name Pol polyprotein
Protein_Sequence AHLHALYLVHHEVWRPLAAAYQHQLDRPIVPHPFRLGDTVWVRRHQTNNLQPRWKAPYTVLLTTPTALKVDGIAAWIHAAHVKAATTPPAGTASGPTWKVQRSQNPLKIRLTRGAP
Organism_Source Rauscher spleen focus-forming virus
Functional_Classification Enzyme
Cellular_Localization Nucleus
Gene_Names pol
UniProt_ID P03358
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name LEDGF-(354-378 AD)
Peptide_Sequence WIHAEIKNSLKADNLDVNRCIEALD
Peptide_Length 25
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2881.26
Aliphatic_Index 117.20000
Aromaticity 0.04000
Average_Rotatable_Bonds 3.92000
Charge_at_pH_7 -1.96879
Isoelectric_Point 4.62922
Number_of_Hydrogen_Bond_Acceptors 40
Number_of_Hydrogen_Bond_Donors 43
Topological_Polar_Surface_Area 1256.13000
X_logP_energy -11.06113
Interaction Information
Affinity Ki=6541 nM
Affinity_Assay Homogeneous time-resolved fluorescence resonance energy transfer
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Affinities between the binding partners of the HIV-1 integrase dimer-lens epithelium-derived growth factor (IN dimer-LEDGF)complex.
Release_Year 2009
PMID 19801648
DOI 10.1074/jbc.M109.040121