PPIRE01654
Target Protein Information
| Protein_Name | Spike glycoprotein |
|---|---|
| Protein_Sequence | MFLCFCAATVLCFWINSGGADVVPNGTLIFSEPVPYPFSLDVLRSFSQHVVLRNKRAVTTISWSYSYQITTSSLSVNSWYVTFTAPLGWNYYTGQSFGTVLNQNAMMRASQSTFTYDVISYVGQRPNLDCQVNSLVNGGLDGWYSTVRVDNCFNAPCHVGGRPGCSIGLPYMSNGVCTRVLSTTQSPGLQYEIYSGQQFAVYQITPYTQYTITMPSGILGYCQQTPLYVDCGTWTPFRVHSYGCDKVTQNCKYTLTSNWVVAFQNKATAVILPSELIVPVAQKVTRRLGVNTPDYFWLVKQAYHYLSQANLSPNYALFSALCNSLYQQSATLSTLCFGSPFFVAQECYNNALYLPDAVFTTLFSTLFSWDYQINYPLNQVLTQNETFLQLPATNYQGQTLSQGRMLNLFKDAIVFLDFFDTKFYRTNDAPSSDIFVVVARQAQLIRYGNFRIEQINGYFQVKCSSNIISTLEPHPAGVIMIARHHSMWSVAARNSTSFYCVTHSLTTFGKLDISTSWFFHTLALPSGPVSQVSMPLLSTAAVGVYMHPMIEHWIPLLTLAQSQYQPSFFNIGINKTITLTTQLQAYAQVYTAWFLSVIYVRLPEARRLTLGVQLVPFIQALLSIKQADLDATDVDSVARYNVLSLMWGRKYAVVNYNQLPEWTYPLFKGEIGESMWFRKKIMPTTEGCQTSAHFSSITGYLQFSDYVYIPKYNKVSCPISTLAPSVLQVYEVQSLFVILIQCVSGSYDWYPGLSGGTAFVYKSYKLGTVCVLLPSDVLSTGPNIGFYSGTALSIVTVQTTNDVLPNCIGLVQDNIFTPCHPSGCPVRNSYDNYIVCFDSSTYTFKNYHRTTPPVMNVPIQEVPLQMEIPTVILQSYELKHTESVLLQDIEGGIIVDHNTGSIWYPDGQAYDVSFYVSVIIRYAPPKLELPSTLANFTSCLDYICFGNYQCRTEAQTFCTSMDYFEQVFNKSLISLKTALQDLHYVLKLVLPETTLELTELTRRRRRAVYEFDDTISLLSESFERFMSPASQAYMANMLWWDDAFDGFSLPQRTGSILSRSPSLSSVSSWNSYTSRTPLISNVKTPKTTFNVKLSMPKLPKASTLSKIGSVLSSGLSIASLGLSIFSIVEDRRVTELTQQQIMALEDQITILTDYTEKNFKEIQSSLNTLGQQVQDFSQQVTMSLQQLSNGLEQITQQLDKSIYYVTATQQYATYMSSLINHLTELAAAVYKTQDMYVTCIHSLQSGVLSPNCITPSQIFQLYQVARNLSGQCQPIFSEREVSRFYSLPLVTDAMVHNDTYWFSWSIPITCSNIQGSVYKVQPGYIVNPTHPTSLQYDLPSHVVTSNAGALRFDDHYCDRYNQVYLCTKSAFDLQPSNYLTMLYSNISENVSLTFHPEPRPDPCVYLSSSALYCYYSDQCNQCVVAVGNCSNQTVTYRNYTYPIMDPQCRGFDQITISSPIDIGVDFTALPSRPPLPLHLSYVNVTFNVTIPHGLNWTDLVLDYSFKDKIYEISKNITDLHQQILQVSSWASGWFQRIRDFLYNLLPTWITWLTLGFSLFSIVISGINIILFFEMNGKVKKS |
| Organism_Source | Berne virus |
| Functional_Classification | Viral envelope proteins |
| Cellular_Localization | Extracellular |
| Gene_Names | S |
| UniProt_ID | P23052 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | KKCH |
|---|---|
| Peptide_Sequence | KKCHFWPFPW |
| Peptide_Length | 10 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1375.66 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.40000 |
| Average_Rotatable_Bonds | 3.60000 |
| Charge_at_pH_7 | 2.02633 |
| Isoelectric_Point | 9.67735 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 15 |
| Topological_Polar_Surface_Area | 419.94000 |
| X_logP_energy | 1.86090 |
Interaction Information
| Affinity | IC50=398.1 uM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A Natural Bioactive Peptide from Pinctada fucata Pearls Can Be Used as a Potential Inhibitor of the Interaction between SARS-CoV-2 and ACE2 against COVID-19. |
| Release_Year | 2024 |
| PMID | 39063143 |
| DOI | 10.3390/ijms25147902 |