PPIRE01939

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 P1
Peptide_Sequence QAKTFLDKFNHEAEDLFYQSSL
Peptide_Length 22
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2631.88
Aliphatic_Index 62.27273
Aromaticity 0.18182
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -1.90810
Isoelectric_Point 4.53867
Number_of_Hydrogen_Bond_Acceptors 37
Number_of_Hydrogen_Bond_Donors 37
Topological_Polar_Surface_Area 1114.53000
X_logP_energy -9.89180
Interaction Information
Affinity KD=12.5 uM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Evaluation of Potential Peptide-Based Inhibitors against SARS-CoV-2 and Variants of Concern.
Release_Year 2023
PMID 37869628
DOI 10.1155/2023/3892370