PPIRE02170
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-(400-413) |
|---|---|
| Peptide_Sequence | WKKIRRFKVSQVIM |
| Peptide_Length | 14 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)C(C)C)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1819.29 |
|---|---|
| Aliphatic_Index | 97.14286 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 4.57143 |
| Charge_at_pH_7 | 4.99709 |
| Isoelectric_Point | 12.54608 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 23 |
| Number_of_Hydrogen_Bond_Donors | 27 |
| Topological_Polar_Surface_Area | 722.59000 |
| X_logP_energy | -3.00396 |
Interaction Information
| Affinity | Ki=28419981 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 |