PPIRE02199

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 SAPRBD?2
Peptide_Sequence DSAEELLEEKKGAVLGGPGQSNAHIXLLET
Peptide_Length 30
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
Chemical_Modification C13=ethyl
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3063.37
Aliphatic_Index 97.66667
Aromaticity 0.00000
Average_Rotatable_Bonds 3.53333
Charge_at_pH_7 -3.90237
Isoelectric_Point 4.13206
Number_of_Hydrogen_Bond_Acceptors 45
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1349.82000
X_logP_energy -15.35820
Interaction Information
Affinity KD=110 pM
Affinity_Assay Surface plasmon resonance
PDB_ID 7JZU
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Self-assembled proteomimetic (SAP)with antibody-like binding from short PNA-peptide conjugates.
Release_Year 2025
PMID 39951509
DOI 10.1073/pnas.2412850122