PPIRE10579
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 | integrases |
| Cellular_Localization | Nucleus |
| Gene_Names | gag-pol |
| UniProt_ID | P04586 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 2d |
|---|---|
| Peptide_Sequence | HXKFWWHXKFWW |
| Peptide_Length | 12 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
| Chemical_Modification | X2=homolanthionine; X8=homolanthionine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1701.96 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.50000 |
| Average_Rotatable_Bonds | 3.91667 |
| Charge_at_pH_7 | 2.17921 |
| Isoelectric_Point | 10.80546 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 17 |
| Number_of_Hydrogen_Bond_Donors | 21 |
| Topological_Polar_Surface_Area | 555.98000 |
| X_logP_energy | 2.56490 |
Interaction Information
| Affinity | IC50=59 mM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design and synthesis of dimeric HIV-1 integrase inhibitory peptides. |
| Release_Year | 2003 |
| PMID | 12951093 |
| DOI | 10.1016/S0960-894X(03)00679-6 |