PPIRE01755

Target Protein Information
Protein_Name Replicase polyprotein 1a
Protein_Sequence MSTSSSILDIPSKMFRILKNNTRETEQHLSSSTLDLISKSQLLAQCFDTQEIMASLSKTVRSILESQNLEHKSTLTPYNSSQSLQLLVMNTSCTQFKWTTGSTSSVKALLEKELCRGLVPLNDITPKSNYVELSLLTPSILIGNETSTTTTLPEIPLDMEQSIISCVENTLLKEVQALSGQESCQEYFLSANYQSLIPPQVLLNLMKMSSVVDLSPLTLPNTRLWLKLSPFHGGTSVSYATQIKGYANCARREEKCLKNRLTKKQKNQEKGSFDARSVITLGGKMYRYKVVVLRCEDQSDNLSELQFEPQVEYTMDMVPHCWKELVKKRLIRAKGTWDLSCVEDLDLDHVEVRGDSLLHRSSVVHDLTSIVDDTLQEKLFSRTWLRQSLKYSGNILQRLSSLFATEGLKKITLVNSDITPVQVGDKWLNFVDFGKSTVFFVKTLNNIHLAMTRQRESCNYIHEKFGRVRWLGAKPEQGAIVKVFAWCLNKKEFKFRDNQLKQYVCRQGVIKHEPCEYLNVEVLDEFVALNNDLNCVQKIKTYLAAYFGLKKVKLTQKNFMTPLITKKQELVFQPCNCPNHQFYVAQFDKHVTLGLGRKDGILFAEQVPSYAIILAVGFGTVETQLVTHYYSEMRRVYHPLDFQSNTFVFDHQGVMLEDISPADYNDVGEEDYQLEYSGGFDQPFQNYHSDDEDQAFPDFEDERHPDEENWARPIISSGESSVVSSRPSSPLVYSSLVPVASPFGYMNGIRVFDICLADDLDFLQIHGQCPCARCKGLYFYQPIRPRGFTIFENVVEFFSFVEKCEVFEEIGPFFKMIEYSMLYNEYNIFYGLGKKIYQSDLVLPVKHLDQLWKRAQLDIDVVSEFENFKNSLQNINNVVYIAPYFNDQGEWNDIFDGYEFNLNDNQFWFQAKPVYDLVCYIYQGFFSDSRPLEKLYQKLCLDYHTSAMLHTQTHLKYCYVALLHSERAFQMSINLDSLDNEQLHFLATMGMGDASLVGPTYLSEYHSNFNWYSIMSKACHYVKLEQLVGLTYQEKRLMILSRVQEFYEQQHRGPIQLILSPLKVVNLPPITCTEGYCYQPVTRLFDTCVMPDIMKKLSRKRTSVSDVFGILADYFKRTLSYRCFKVHEFCGIERQQEFSDMTTLKLVTDWCQDTYYFYNEYATMTDVEPKVQVSSDYYLKIPSEVVEHIRQFLPHNVNVGLMNYVSSNCDFDQCKFEFCLSGKGYVLGNMFFNRCAIQYVKTNLFIVLFKSRPLLYITQESIYLSDFNVLQAQCLTGEFCLDFEPVQGKTLFGVYFTNGQRYGQQWETLPRFSLKPLNSPRKRVPTQPFEELAEVCIFKQKLKLTQLHNDCSVTPRVCSIPQTITATFQPYYCLENFYGVKAPKVIVSGHLATHYVKLTHKISKCVLVTKLAVARAFYFTPTSMGSHYHLDPMEGISFGKRATVQFEPVGLIKDVNLLVYQFGSHVSIQFFPEAPCIVADGHYPSKYSGVWLGYLPSVEECKIAQVNHRVYVPTILRTSKSAPFHIIQNGDMGRGPITVTYHYAKNFDNKSLTPMFKMFQQVFEKSKDDIFKAFNTMSLEQKKVLSHFCGEFDEAYTLQTMSDEISFESSAYPDVVACSLAYILGYEMCLTVKVNAKNEKLDIGSQCERVFVDYDVKKNEWTLSPEEGEDSDDNLDLPFEQYYEFKIGQTNVVLVQDDFKSVFEFLKSEQGVDYVVNPANSQLKHGGGIAKVISCMCGPKLQAWSNNYITKNKTVPVTKAIKSPGFQLGKKVNIIHAVGPRVSDGDVFQKLDQAWRSVFDLCEDQHTILTSMLSTGIFGCTVNDSFNTFLSNVARLDKSLVVFVVTNMVEQYNQAFAVIKMYQQYHGLPNFGNTCWFNALYQLLKSFSEKEQCVNDLLNCFDDFYDCPTSQCVEWVCEQLGVQFGQQQDAVEMLMKVFDVFKCDVRVGFDCLSRLQQVNCGFCVEVPAQAVLMFSGKDQCGHWTAARKIVDKWYTFDDNHVVQKDPVWQNVVLVLRDRGIFRSADFERKPARRRRVSHRVPRDTLSQDAITYIEDLRFSSGTCLSRYFVESVESFVSGDNVSEVSDEQTCVEVAIEESDGHVEQICQSSVDCVGMPESFQFTFSMPLQTFVQECDQKCEDDFSQEHVECDQQFEPVEQVGQGGQQDGQVDQQIKESEQVVEPSAPSGQESPQALLQQVVDEVVYQIEQVKCDQKQDQDSVQCDEIEEINSRGEQTVQQQLQPILGHDLNENEGPTLSVGAGKLVRCRSLAVTESNLSTSNTIFVWSEVLTHQYIGFKTDLMGLTYNIKFKLICYVLFLWFGVLCCTSHNTPFYMRLCIYLVLLWLSLMIWNASQINVKTGWNELYVLKLLTSIKLPNIVKFRCELVQWFVLKCLFVSFYVYDYVVKVCVSIFQMPQLRPFTWPFIKLGFVDTFLSHHILAFPEKVANQSTLPTCGDKRYYVYVPSWCRASFTSLVMRARELTSTGRSKTLDNWHYQCCSKTAKPLSCFNVREFVFDQDCKHEAYGFLSSLCVYLLFYSGFLTFWLPLFCYYYVLFMCTFKNLPVDITKPIKWTVLQQVVNDVLSLVTKPLFGRPVCPPLTTYLTSTTADEAVKVSRSLLGRFCTPLGFQQPVMNVENGVTVSNFGFFNPLMWPLFVVVLLDNRFIWFFNVLSYVMMPVFVIILFYFYLKKICGCINFKGLSKCCTKHFNQFSKPLVAAGVHGNRTNFTYQPMQEHWCDRHSWYCPKEEHYMTPDMAVYIKNYYNLACAPTADLVWCDYTKSAPTMTWSNFKYSSYKAKETVLCAPSSHADSMLMAWYALLHNVRFTVNPNVVDLPPAVNTIYVSSDSEDSVQDKSQPDVKLRPKKPKGNFKKQSVAYFSREPVDIWYYTTLVIVMGVLFMFMYSCLMVGQYVVMPRDKFFGVNPTGYSYVNAPPYLHAAPPVLQNSDGMILATQLKVPSITYSVYRLLSGHLYFTKLIVSDNECTPPFGAARLSNEFSCNGFTYVLPAHLRFFNRYVMLIHPDQLHMLPFEVEYGSHTRVCYTTGSNSVECLPTFEIISPYVFVFIVVIFTVIFLILIRLYIVMYSYFKVFTYVVFKLLFVNIIMVLFVVCLPPLVPGVVFVLALWLCDSVMFLLYLAFLSLFILPWFYVLFFLFMVGGFVFWWMMRSADVVHLTTDGLTFNGTFEQISKCVFPLNPLIVNRMLLDCQMSHSDLVEKSKLKTTEGKLANEMMKVFMTGETSYYQPSNFSFQSVFSKATSPFTLHARPPMPMFKLYVHFTGSCVGSTSTGTGFAIDDNTIVTAKHLFEYDDLKPTHVSVEIVTRSHSARSASIIWKEPDVKGWTFKGENAYIQVENLKDFYIEDFKYLPFQQIEKDFYKRMEPVTIYSVKYGSEFATQAWQTVNGHFVCYNTEGGDSGAPLVCNGRIVGVHQGLCDNFKTTLASDFEGKMMTEVKGHHVDPPVYYKPIIISAAYNKFVAGEDSSVGDGKNYHKFENEDFACMCKELESVTFGDQLRRYCYNLPQFLEPLQYFHVPSFWQPFKKQSVSNNVSWVVEHLHFIFSIYFLICDFVAYWWLDDPFSVVLPLFFIVQLLSTVFLKNVLFWTTSYLITLAVTFYIHSEVAESMFLLGFLSDRVVNRMSLIIVVAIMCLFVVVRVVVNVKRAIFVFVVSVVLIFVHICLGIVQFNSFVNVVLFDVYAVFTALLTPQPVVAIIMLLLFDTKMLMSFAFIVIVLSFRVFKDYKFVKVLHNFCNFDFVLSQVSLFRYRHRNQGNDPTHYEALWLFLKELYYGIQDAKYEVFSPQAGSYNVKFLTDMTEQDQLEAVEQVQRRLQRFNIVQDKASPRLVLYSKTIEFIKDQIQQQRAVGANPFIITTLTSNDIGLDNVEVHNPANFKPEDLQAHMWFFSKSPVFIGQVPIPTNVQTAAVLDTTYNCQDLTADEKNNVAATLQIQNAAITLSLFEKCTQFLESELGEVPTLMWQAEDVADIKHLESQIENLRKVLDGMQFGTTEYKATRKQLNICQSQLDQAKAFERKLAKFLEKVDQQQAITNETAKQLSAFKNLVKQVYESYMSSLKVKVLEANDASCLLTSTDLPRKLVLMRPITGVDGIKIVEKANGCEITAFGTTFNTGHGSNLAGLAYSTTQPLSAYPFIFNLEGIFKQQANIGYKTVECNMSSHNGSVLYKGKVVAVPSDDNPDFVVCGKGYKLDCGINVLMIPSIVRYITLNLTDHLQKQSLKPRRRLQYRQQGVRLGGVNLGEHQAFSNELISTVGYTTWVSSTVCRDNTHKHPWFVQIPVNEKDPEWFMHNTQLKDNQWVVDLKPTHWLVNADTGEQLFALSLTDEQALKAEAILQKWSPITQDVECWFKDLKGYYTVSGFQPLWPVCPVNICNVRLDPVFKPQSIVYADDPTHFLSLPVVNKNFLAAFYDLQEGFPGKKQVAPHISLTMLKLSDEDIEKVEDILDEMVLPNSWVTITNPHMMGKHYVCDVEGLDSLHDEVVSVLREHGIACDQKRLWKPHLTIGELNDVSFDKFKDFAISCKLEDCDFVKLGAPKANARYEFITTLPLGDLNC
Organism_Source Berne virus
Functional_Classification Viral envelope proteins
Cellular_Localization Cytoplasm
Gene_Names None
UniProt_ID P0C6F3
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name IAEK
Peptide_Sequence IAEK
Peptide_Length 4
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 459.54
Aliphatic_Index 122.50000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -0.00054
Isoelectric_Point 6.40880
Number_of_Hydrogen_Bond_Acceptors 7
Number_of_Hydrogen_Bond_Donors 7
Topological_Polar_Surface_Area 213.94000
X_logP_energy -1.08750
Interaction Information
Affinity IC50=154.4 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational Discovery of Antiviral Whey Protein-Derived Small Peptides Targeting the SARS-CoV-2 Main Protease.
Release_Year 2022
PMID 35625804
DOI 10.3390/biomedicines10051067