PPIRE04158
Target Protein Information
| Protein_Name | Gag-Pol polyprotein |
|---|---|
| Protein_Sequence | MGARASVLTGGKLDQWEAIYLRPGGKKKYRLKHLVWASRELERFACNPGLMDTANGCAQLINQLEPALKTGSEGLRSLXNTLAVLYCVHSNIPVHNTQEALDKIKEKQEQHKSEPKKPEAGTAAAADSSISRNYPLVQNAQGQMVHQPLTPRTLNAWVKVIEEKAFNPEIIPMFMALSEGATPSDLNSMLNTVGGHQAAMQMLKEVINEEAAEWDRTHPAPVGPLPPGQMRDPRGSDIAGTTSTLAEQVAWMTSNPPIPVGDIYRRWIVLGLNRIVRMYSPVSILEIKQGPKEPFRDYVDRFYKTLRAEQATQDVKNWMTETLLVQNANPDCKQILKALGPGATLEEMMTACQGVGGPAHKARVLAEAMAQAQTATSVFVQRGNFKGIRKTIKCFNCGKEGHLARNCKAPRRRGCWKCGQEGHQMKDCKNEGXQANFRKGLVSLQRETRKLPPDNNKERAHSPATRELWVSGGEEHTGKGDAGEPGEDRDLSVPTLNFPQITLWQRPVXAVKIGKEIREALLDTGADDTVIEEIQLEGKWKPKMIGGIGGFIKVRQYDNITIDIQGRKAVGTVLVGPTPVNIIGRNFLTQIGCTLNFPISPIETVPVKLKPGMDGPRVKQWPLTAEKIEALREICTEMEKEGKISRIGPENPYNTPIFAIKKKDSTKWRKLVDFRELNKRTQEFWEVQLGIPHPAGLKQKKSVTVXDVGDAYFSCPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKKHPEIIIYQYMDDLYVGSDLEIAQHRETVEELRGHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIKLPEKEVWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLIRGTKALTEVVTFTQEAELELAENREILKEPLHGVYYDPGKELIAEIQKQGQGQWTYQIYQEPYKNLKTGKYAKXRSAHTNDIKELAAVVQKVATESIVIWGKTPKFKLPVQKEVWETWWTEHWQATWIPEWEFVNTPPLVKLWYQLETEPISGAETYYVDGAANKETKLGKAGFVTDRGRQKVVSIENTTNQKAELQAILLALQESGQEANIVTDSQYAMGIIHSQPDKSESDLVGQIIEELIKKERVYLSWVPAHKGIGGNEQVDXLVSSGIRXVLFLDGIEKAQEEHERYHSNWKAMASDFNLPPIVAKEIVASCDKCQLKGEAMHGQINCSPGVWQLDCTHLEGKIILVAVHVASGYLEAEVIPAETGQETAYFILKLAGRWPVKVIHTDNGPNFISATVKAACWWAGIKQEFGIPYNPQSQGAVESMNKELKKIIGQIRDQAEHLKTAVQMAVFIHNFKRKGGIGGXTAGERIIDIIATDIQTTKLQTQILKVQNFXVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNGDIKVVPRRKAKIIRDYGKQMAGDGCVASGQDENQDME |
| Organism_Source | Human immunodeficiency virus type 1 group N (isolate YBF106) |
| Functional_Classification | aspartic proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | Q9IDV9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Glu-Asp-Leu |
|---|---|
| Peptide_Sequence | EDL |
| Peptide_Length | 3 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=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 | |
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Peptide Physicochemical
| Molecular_Weight | 375.38 |
|---|---|
| Aliphatic_Index | 130.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -1.99979 |
| Isoelectric_Point | 3.55007 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 196.12000 |
| X_logP_energy | -1.24650 |
Interaction Information
| Affinity | Ki=52 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 1A30 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease. |
| Release_Year | 1998 |
| PMID | 9485357 |
| DOI | 10.1021/bi972059x |