PPIRE03086

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 HR2m
Peptide_Sequence DVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQ
Peptide_Length 46
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 5113.66
Aliphatic_Index 122.82609
Aromaticity 0.02174
Average_Rotatable_Bonds 3.95652
Charge_at_pH_7 -5.99265
Isoelectric_Point 3.88356
Number_of_Hydrogen_Bond_Acceptors 73
Number_of_Hydrogen_Bond_Donors 75
Topological_Polar_Surface_Area 2311.42000
X_logP_energy -24.27413
Interaction Information
Affinity IC50=1.76 uM
Affinity_Assay Pseudovirus infection assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title An enhanced broad-spectrum peptide inhibits Omicron variants in?vivo.
Release_Year 2024
PMID 38340726
DOI 10.1016/j.xcrm.2024.101418