PPIPT00799
Target Protein Information
| Protein_Name | Spike glycoprotein |
|---|---|
| Protein_Sequence | MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKWPWYIWLGFIAGLIAIVMVTIMLCCMTSCCSCLKGCCSCGSCCKFDEDDSEPVLKGVKLHYT |
| Organism_Source | Severe acute respiratory syndrome coronavirus 2 |
| Functional_Classification | Viral envelope glycoprotein (Class I fusion protein) |
| Cellular_Localization | Extracellular |
| Gene_Names | S |
| UniProt_ID | P0DTC2 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | LGKGDFR peptide |
|---|---|
| Peptide_Sequence | LGKGDFR |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | 4-azidobutanoylation |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 791.91 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.85714 |
| Charge_at_pH_7 | 0.99813 |
| Isoelectric_point | 9.69502 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 363.14000 |
| X_logP_energy | -3.27433 |
Interaction Information
| Affinity | KD=5.702 nM |
|---|---|
| Affinity_Assay | flow cytometry |
| PDB_ID | 6M0J |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | METHOD FOR CONSTRUCTING HOTSPOT-DERIVED PEPTIDE-NUCLEIC ACID HYBRID MOLECULES ON BASIS OF IN VITRO SELECTION |
| Release_Year | 2025 |
| Patent_ID | EP4516932A1 |