PPIRE19506
Target Protein Information
| Protein_Name | Envelope glycoprotein gp160 |
|---|---|
| Protein_Sequence | MRVKGIRKNYQHLWRGGTLLLGMLMICSAVEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEIVLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLHCTNLENATNTTSSNWKEMNRGEIKNCSFNVTTSIGNKMQKEYALFYKLDVVPIDNDNTSYNLINCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGSGPCINVSTVQCTHGIRPVVSTQLLLNGSLAEEGVVIRSENFTDNVKTIVVQLKESVEINCTRPNNNTRKSIPIGPGKAFYATGDIIGDIRQAHCNISGEKWNNTLKQIVTKLQAQFENKTIVFKQSSGGDPEIVMHSFNCGGEFFYCNSTQLFNSTWNNTIGPNNTNGTITLPCRIKQIINRWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGREVSNTTEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVTLGAVFLGFLGAAGSTMGAASLTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLDQIWNNMTWMEWEREIGNYTNLIYTLIEESQNQQEKNEQELLELDKWASLWNWFDISKWLWYIKIFIMIVGGLVGLRIVFTVLSIVNRVRQGYSPLSFQTRFPAPRGLDRPEGIEEEGGERDRDRSRPLVHGLLALIWDDLRSLCLFSYHRLRDLILIAARIVELLGRRGWEALKYWGNLLQYWIQELKNSAVSLFGAIAIAVAEGTDRIIEVAQRIGRAFLHIPRRIRQGLERTLL |
| Organism_Source | Simian-Human immunodeficiency virus 1 |
| Functional_Classification | viral envelope glycoproteins |
| Cellular_Localization | Extracellular |
| Gene_Names | env |
| UniProt_ID | A0A0B4Q642 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cd1a |
|---|---|
| Peptide_Sequence | SCTWEGNKLTCK |
| Peptide_Length | 12 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | side chain-side chain cyclization; C2<-->C11; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1369.57 |
|---|---|
| Aliphatic_Index | 32.50000 |
| Aromaticity | 0.08333 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | 0.87522 |
| Isoelectric_Point | 8.22800 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 22 |
| Number_of_Hydrogen_Bond_Donors | 23 |
| Topological_Polar_Surface_Area | 592.33000 |
| X_logP_energy | -7.25570 |
Interaction Information
| Affinity | IC50=1 mM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A Minimal Peptide Scaffold for Beta-Turn Display: Optimizing a Strand Position in Disulfide-Cyclized Beta-Hairpins |
| Release_Year | 2001 |
| PMID | 11456574 |
| DOI | 10.1021/ja003369x |