PPIRE18690
Target Protein Information
| Protein_Name | Envelope glycoprotein gp160 |
|---|---|
| Protein_Sequence | MTVTMKVMKKNNRKSWSLYIAMALLIPCLSYSKQLYATVYSGVPVWEEAAPVLFCASDANLTSTEQHNIWASQACVPTDPNPHEFPLGNVTDNFDIWKNYMVDQMHEDIISLWEQSLKPCEKMTFLCVQMNCVDLQTNKTGLLNETINEMRNCSFNVTTVLTDKKEQKQALFYVSDLSKVNDSNAVNGTTYMLTNCNSTIIKQACPKVSFEPIPIHYCAPTGYAIFKCNDTDFNGTGLCHNISVVTCTHGIKPTVSTQLILNGTLSREKIRIMGKNITESAKNIIVTLNTPINMTCIREGIAEVQDIYTGPMRWRSMTLKRSNNTSPRSRVAYCTYNKTVWENALQQTAIRYLNLVNQTENVTIIFSRTSGGDAEVSHLHFNCHGEFFYCNTSGMFNYTFINCTKSGCQEIKGSNETNKNGTIPCKLRQLVRSWMKGESRIYAPPIPGNLTCHSNITGMILQLDQPWNSTGENTLRPVGGDMKDIWRTKLYNYKVVQIKPFSVAPTKMSRPIINIHTPHREKRAVGLGMLFLGVLSAAGSTMGAAATALTVRTHSVLKGIVQQQDNLLRAIQAQQHLLRLSVWGIRQLRARLQALETLIQNQQRLNLWGCKGKLICYTSVKWNTSWSGRYNDDSIWDNLTWQQWDQHINNVSSIIYDEIQAAQDQQEKNVKALLELDEWASLWNWFDITKWLWYIKIAIIIVGALIGIRVIMIILNLVKNIRQGYQPLSLQIPVPHRQEAETPGRTGEEGGEGDRPKWTALPPGFLQQLYTDLRTIILWTYHLLSNLISGIRRLIDYLGLGLWILGQKTIEACRLCGAVMQYWLQELKNSATNLLDTIAVSVANWTDGIILGLQRIGQGFLHIPRRIRQGAERILV |
| Organism_Source | Human immunodeficiency virus type 1 group O (isolate MVP5180) |
| Functional_Classification | fusion proteins |
| Cellular_Localization | Plasma membrane |
| Gene_Names | env |
| UniProt_ID | Q79670 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | D-peptide |
|---|---|
| Peptide_Sequence | kkgacellgwewawlcaa |
| Peptide_Length | 18 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C5<-->C16; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 2035.41 |
|---|---|
| Aliphatic_Index | 87.22222 |
| Aromaticity | 0.16667 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | -0.12300 |
| Isoelectric_Point | 6.25828 |
|---|---|
| Hydrogen_Bond_Acceptors | 25 |
| Hydrogen_Bond_Donors | 28 |
| Topological_Polar_Surface_Area | 732.03000 |
| X_logP_energy | -1.86020 |
Interaction Information
| Affinity | EC50=19 uM |
|---|---|
| Affinity_Assay | cellell fusion assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket |
| Release_Year | 2010 |
| PMID | 20004576 |
| DOI | 10.1016/j.bmcl.2009.11.076 |