PPIRE06555
Target Protein Information
| Protein_Name | Gag-Pol polyprotein |
|---|---|
| Protein_Sequence | MGARASVLTGGKLDQWEAIYLRPGGKKKYRLKHLVWASRELERFACNPGLMDTANGCAQLINQLEPALKTGSEGLRSLXNTLAVLYCVHSNIPVHNTQEALDKIKEKQEQHKSEPKKPEAGTAAAADSSISRNYPLVQNAQGQMVHQPLTPRTLNAWVKVIEEKAFNPEIIPMFMALSEGATPSDLNSMLNTVGGHQAAMQMLKEVINEEAAEWDRTHPAPVGPLPPGQMRDPRGSDIAGTTSTLAEQVAWMTSNPPIPVGDIYRRWIVLGLNRIVRMYSPVSILEIKQGPKEPFRDYVDRFYKTLRAEQATQDVKNWMTETLLVQNANPDCKQILKALGPGATLEEMMTACQGVGGPAHKARVLAEAMAQAQTATSVFVQRGNFKGIRKTIKCFNCGKEGHLARNCKAPRRRGCWKCGQEGHQMKDCKNEGXQANFRKGLVSLQRETRKLPPDNNKERAHSPATRELWVSGGEEHTGKGDAGEPGEDRDLSVPTLNFPQITLWQRPVXAVKIGKEIREALLDTGADDTVIEEIQLEGKWKPKMIGGIGGFIKVRQYDNITIDIQGRKAVGTVLVGPTPVNIIGRNFLTQIGCTLNFPISPIETVPVKLKPGMDGPRVKQWPLTAEKIEALREICTEMEKEGKISRIGPENPYNTPIFAIKKKDSTKWRKLVDFRELNKRTQEFWEVQLGIPHPAGLKQKKSVTVXDVGDAYFSCPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKKHPEIIIYQYMDDLYVGSDLEIAQHRETVEELRGHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIKLPEKEVWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLIRGTKALTEVVTFTQEAELELAENREILKEPLHGVYYDPGKELIAEIQKQGQGQWTYQIYQEPYKNLKTGKYAKXRSAHTNDIKELAAVVQKVATESIVIWGKTPKFKLPVQKEVWETWWTEHWQATWIPEWEFVNTPPLVKLWYQLETEPISGAETYYVDGAANKETKLGKAGFVTDRGRQKVVSIENTTNQKAELQAILLALQESGQEANIVTDSQYAMGIIHSQPDKSESDLVGQIIEELIKKERVYLSWVPAHKGIGGNEQVDXLVSSGIRXVLFLDGIEKAQEEHERYHSNWKAMASDFNLPPIVAKEIVASCDKCQLKGEAMHGQINCSPGVWQLDCTHLEGKIILVAVHVASGYLEAEVIPAETGQETAYFILKLAGRWPVKVIHTDNGPNFISATVKAACWWAGIKQEFGIPYNPQSQGAVESMNKELKKIIGQIRDQAEHLKTAVQMAVFIHNFKRKGGIGGXTAGERIIDIIATDIQTTKLQTQILKVQNFXVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNGDIKVVPRRKAKIIRDYGKQMAGDGCVASGQDENQDME |
| Organism_Source | Human immunodeficiency virus type 1 group N (isolate YBF106) |
| Functional_Classification | aspartyl protease |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | Q9IDV9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Ac-Q-V-S-Q-N-Y |
|---|---|
| Peptide_Sequence | QVSQNY |
| Peptide_Length | 6 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 737.77 |
|---|---|
| Aliphatic_Index | 48.33333 |
| Aromaticity | 0.16667 |
| Average_Rotatable_Bonds | 3.83333 |
| Charge_at_pH_7 | -0.00287 |
| Isoelectric_Point | 6.09320 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 378.55000 |
| X_logP_energy | -5.17470 |
Interaction Information
| Affinity | IC50=37 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The inhibition of human immunodeficiency virus proteases by 'interface peptides'. |
| Release_Year | 1996 |
| PMID | 8783807 |
| DOI | 10.1016/0166-3542(96)00940-0 |