PPIRE13566

Target Protein Information
Protein_Name Spike glycoprotein
Protein_Sequence MLFVFILLLPSCLGYIGDFRCIQTVNYNGNNASAPSISTEAVDVSKGLGTYYVLDRVYLNATLLLTGYYPVDGSNYRNLALTGTNTLSLTWFKPPFLSEFNDGIFAKVQNLKTNTPTGATSYFPTIVIGSLFGNTSYTVVLEPYNNIIMASVCTYTICQLPYTPCKPNTNGNRVIGFWHTDVKPPICLLKRNFTFNVNAPWLYFHFYQQGGTFYAYYADKPSATTFLFSVYIGDILTQYFVLPFICTPTAGSTLLPLYWVTPLLKRQYLFNFNEKGVITSAVDCASSYISEIKCKTQSLLPSTGVYDLSGYTVQPVGVVYRRVPNLPDCKIEEWLTAKSVPSPLNWERRTFQNCNFNLSSLLRYVQAESLSCNNIDASKVYGMCFGSVSVDKFAIPRSRQIDLQIGNSGFLQTANYKIDTAATSCQLYYSLPKNNVTINNYNPSSWNRRYGFNDAGVFGKSKHDVAYAQQCFTVRPSYCPCAQPDIVSACTSQTKPMSAYCPTGTIHRECSLWNGPHLRSARVGSGTYTCECTCKPNPFDTYDLRCGQIKTIVNVGDHCEGLGVLEDKCGNSDPHKGCSCANDSFIGWSHDTCLVNDRCQIFANILLNGINSGTTCSTDLQLPNTEVATGVCVRYDLYGITGQGVFKEVKADYYNSWQALLYDVNGNLNGFRDLTTNKTYTIRSCYSGRVSAAYHKEAPEPALLYRNINCSYVFTNNISREENPLNYFDSYLGCVVNADNRTDEALPNCDLRMGAGLCVDYSKSRRARRSVSTGYRLTTFEPYMPMLVNDSVQSVGGLYEMQIPTNFTIGHHEEFIQIRAPKVTIDCAAFVCGDNAACRQQLVEYGSFCDNVNAILNEVNNLLDNMQLQVASALMQGVTISSRLPDGISGPIDDINFSPLLGCIGSTCAEDGNGPSAIRGRSAIEDLLFDKVKLSDVGFVEAYNNCTGGQEVRDLLCVQSFNGIKVLPPVLSESQISGYTAGATAAAMFPPWTAAAGVPFSLNVQYRINGLGVTMNVLSENQKMIASAFNNALGAIQEGFDATNSALGKIQSVVNANAEALNNLLNQLSNRFGAISASLQEILTRLDAVEAKAQIDRLINGRLTALNAYISKQLSDSTLIKFSAAQAIEKVNECVKSQTTRINFCGNGNHILSLVQNAPYGLCFIHFSYVPTSFKTANVSPGLCISGDRGLAPKAGYFVQDNGEWKFTGSNYYYPEPITDKNSVVMISCAVNYTKAPEVFLNNSIPNLPDFKEELDKWFKNQTSIAPDLSLDFEKLNVTFLDLTYEMNRIQDAIKKLNESYINLKEVGTYEMYVKWPWYVWLLIGLAGVAVCVLLFFICCCTGCGSCCFRKCGSCCDEYGGHQDSIVIHNISAHED
Organism_Source Murine coronavirus (strain 4)
Functional_Classification class I viral fusion proteins
Cellular_Localization Extracellular
Gene_Names S
UniProt_ID P22432
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name MHVWW-IV
Peptide_Sequence GNHILSLVQNAPYGLYFIHFSW
Peptide_Length 22
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC)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 2576.94
Aliphatic_Index 106.36364
Aromaticity 0.22727
Average_Rotatable_Bonds 3.45455
Charge_at_pH_7 0.17810
Isoelectric_Point 7.69809
Number_of_Hydrogen_Bond_Acceptors 32
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 948.97000
X_logP_energy -4.70700
Interaction Information
Affinity IC50=4 uM
Affinity_Assay plaque reduction assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Inhibition of severe acute respiratory syndrome-associated coronavirus (SARS-CoV)infectivity by peptides analogous to the viral spike protein.
Release_Year 2006
PMID 16616792
DOI 10.1016/j.virusres.2006.03.001