PPIRE18214
Target Protein Information
| Protein_Name | Envelope glycoprotein gp160 |
|---|---|
| Protein_Sequence | MTVTMKVMKKNNRKSWSLYIAMALLIPCLSYSKQLYATVYSGVPVWEEAAPVLFCASDANLTSTEQHNIWASQACVPTDPNPHEFPLGNVTDNFDIWKNYMVDQMHEDIISLWEQSLKPCEKMTFLCVQMNCVDLQTNKTGLLNETINEMRNCSFNVTTVLTDKKEQKQALFYVSDLSKVNDSNAVNGTTYMLTNCNSTIIKQACPKVSFEPIPIHYCAPTGYAIFKCNDTDFNGTGLCHNISVVTCTHGIKPTVSTQLILNGTLSREKIRIMGKNITESAKNIIVTLNTPINMTCIREGIAEVQDIYTGPMRWRSMTLKRSNNTSPRSRVAYCTYNKTVWENALQQTAIRYLNLVNQTENVTIIFSRTSGGDAEVSHLHFNCHGEFFYCNTSGMFNYTFINCTKSGCQEIKGSNETNKNGTIPCKLRQLVRSWMKGESRIYAPPIPGNLTCHSNITGMILQLDQPWNSTGENTLRPVGGDMKDIWRTKLYNYKVVQIKPFSVAPTKMSRPIINIHTPHREKRAVGLGMLFLGVLSAAGSTMGAAATALTVRTHSVLKGIVQQQDNLLRAIQAQQHLLRLSVWGIRQLRARLQALETLIQNQQRLNLWGCKGKLICYTSVKWNTSWSGRYNDDSIWDNLTWQQWDQHINNVSSIIYDEIQAAQDQQEKNVKALLELDEWASLWNWFDITKWLWYIKIAIIIVGALIGIRVIMIILNLVKNIRQGYQPLSLQIPVPHRQEAETPGRTGEEGGEGDRPKWTALPPGFLQQLYTDLRTIILWTYHLLSNLISGIRRLIDYLGLGLWILGQKTIEACRLCGAVMQYWLQELKNSATNLLDTIAVSVANWTDGIILGLQRIGQGFLHIPRRIRQGAERILV |
| Organism_Source | Human immunodeficiency virus type 1 group O (isolate MVP5180) |
| Functional_Classification | glycoproteins |
| Cellular_Localization | Extracellular |
| Gene_Names | env |
| UniProt_ID | Q79670 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 2 |
|---|---|
| Peptide_Sequence | XWSEAMM |
| Peptide_Length | 7 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)O |
| Chemical_Modification | X1=ferrocenyl-triazole(Pro) |
| 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 | 810.94 |
|---|---|
| Aliphatic_Index | 14.28571 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.57143 |
| Charge_at_pH_7 | -1.00024 |
| Isoelectric_Point | 3.84998 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 311.24000 |
| X_logP_energy | -1.95430 |
Interaction Information
| Affinity | IC50=35 uM |
|---|---|
| Affinity_Assay | single-round viral infection assay |
| PDB_ID | None |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The Active Core in a Triazole Peptide Dual-Site Antagonist of HIV-1 gp120 |
| Release_Year | 2010 |
| PMID | 20677318 |
| DOI | 10.1002/cmdc.201000222 |