PPIRE02330

Target Protein Information
Protein_Name Replicase polyprotein 1a
Protein_Sequence MSTSSSILDIPSKMFRILKNNTRETEQHLSSSTLDLISKSQLLAQCFDTQEIMASLSKTVRSILESQNLEHKSTLTPYNSSQSLQLLVMNTSCTQFKWTTGSTSSVKALLEKELCRGLVPLNDITPKSNYVELSLLTPSILIGNETSTTTTLPEIPLDMEQSIISCVENTLLKEVQALSGQESCQEYFLSANYQSLIPPQVLLNLMKMSSVVDLSPLTLPNTRLWLKLSPFHGGTSVSYATQIKGYANCARREEKCLKNRLTKKQKNQEKGSFDARSVITLGGKMYRYKVVVLRCEDQSDNLSELQFEPQVEYTMDMVPHCWKELVKKRLIRAKGTWDLSCVEDLDLDHVEVRGDSLLHRSSVVHDLTSIVDDTLQEKLFSRTWLRQSLKYSGNILQRLSSLFATEGLKKITLVNSDITPVQVGDKWLNFVDFGKSTVFFVKTLNNIHLAMTRQRESCNYIHEKFGRVRWLGAKPEQGAIVKVFAWCLNKKEFKFRDNQLKQYVCRQGVIKHEPCEYLNVEVLDEFVALNNDLNCVQKIKTYLAAYFGLKKVKLTQKNFMTPLITKKQELVFQPCNCPNHQFYVAQFDKHVTLGLGRKDGILFAEQVPSYAIILAVGFGTVETQLVTHYYSEMRRVYHPLDFQSNTFVFDHQGVMLEDISPADYNDVGEEDYQLEYSGGFDQPFQNYHSDDEDQAFPDFEDERHPDEENWARPIISSGESSVVSSRPSSPLVYSSLVPVASPFGYMNGIRVFDICLADDLDFLQIHGQCPCARCKGLYFYQPIRPRGFTIFENVVEFFSFVEKCEVFEEIGPFFKMIEYSMLYNEYNIFYGLGKKIYQSDLVLPVKHLDQLWKRAQLDIDVVSEFENFKNSLQNINNVVYIAPYFNDQGEWNDIFDGYEFNLNDNQFWFQAKPVYDLVCYIYQGFFSDSRPLEKLYQKLCLDYHTSAMLHTQTHLKYCYVALLHSERAFQMSINLDSLDNEQLHFLATMGMGDASLVGPTYLSEYHSNFNWYSIMSKACHYVKLEQLVGLTYQEKRLMILSRVQEFYEQQHRGPIQLILSPLKVVNLPPITCTEGYCYQPVTRLFDTCVMPDIMKKLSRKRTSVSDVFGILADYFKRTLSYRCFKVHEFCGIERQQEFSDMTTLKLVTDWCQDTYYFYNEYATMTDVEPKVQVSSDYYLKIPSEVVEHIRQFLPHNVNVGLMNYVSSNCDFDQCKFEFCLSGKGYVLGNMFFNRCAIQYVKTNLFIVLFKSRPLLYITQESIYLSDFNVLQAQCLTGEFCLDFEPVQGKTLFGVYFTNGQRYGQQWETLPRFSLKPLNSPRKRVPTQPFEELAEVCIFKQKLKLTQLHNDCSVTPRVCSIPQTITATFQPYYCLENFYGVKAPKVIVSGHLATHYVKLTHKISKCVLVTKLAVARAFYFTPTSMGSHYHLDPMEGISFGKRATVQFEPVGLIKDVNLLVYQFGSHVSIQFFPEAPCIVADGHYPSKYSGVWLGYLPSVEECKIAQVNHRVYVPTILRTSKSAPFHIIQNGDMGRGPITVTYHYAKNFDNKSLTPMFKMFQQVFEKSKDDIFKAFNTMSLEQKKVLSHFCGEFDEAYTLQTMSDEISFESSAYPDVVACSLAYILGYEMCLTVKVNAKNEKLDIGSQCERVFVDYDVKKNEWTLSPEEGEDSDDNLDLPFEQYYEFKIGQTNVVLVQDDFKSVFEFLKSEQGVDYVVNPANSQLKHGGGIAKVISCMCGPKLQAWSNNYITKNKTVPVTKAIKSPGFQLGKKVNIIHAVGPRVSDGDVFQKLDQAWRSVFDLCEDQHTILTSMLSTGIFGCTVNDSFNTFLSNVARLDKSLVVFVVTNMVEQYNQAFAVIKMYQQYHGLPNFGNTCWFNALYQLLKSFSEKEQCVNDLLNCFDDFYDCPTSQCVEWVCEQLGVQFGQQQDAVEMLMKVFDVFKCDVRVGFDCLSRLQQVNCGFCVEVPAQAVLMFSGKDQCGHWTAARKIVDKWYTFDDNHVVQKDPVWQNVVLVLRDRGIFRSADFERKPARRRRVSHRVPRDTLSQDAITYIEDLRFSSGTCLSRYFVESVESFVSGDNVSEVSDEQTCVEVAIEESDGHVEQICQSSVDCVGMPESFQFTFSMPLQTFVQECDQKCEDDFSQEHVECDQQFEPVEQVGQGGQQDGQVDQQIKESEQVVEPSAPSGQESPQALLQQVVDEVVYQIEQVKCDQKQDQDSVQCDEIEEINSRGEQTVQQQLQPILGHDLNENEGPTLSVGAGKLVRCRSLAVTESNLSTSNTIFVWSEVLTHQYIGFKTDLMGLTYNIKFKLICYVLFLWFGVLCCTSHNTPFYMRLCIYLVLLWLSLMIWNASQINVKTGWNELYVLKLLTSIKLPNIVKFRCELVQWFVLKCLFVSFYVYDYVVKVCVSIFQMPQLRPFTWPFIKLGFVDTFLSHHILAFPEKVANQSTLPTCGDKRYYVYVPSWCRASFTSLVMRARELTSTGRSKTLDNWHYQCCSKTAKPLSCFNVREFVFDQDCKHEAYGFLSSLCVYLLFYSGFLTFWLPLFCYYYVLFMCTFKNLPVDITKPIKWTVLQQVVNDVLSLVTKPLFGRPVCPPLTTYLTSTTADEAVKVSRSLLGRFCTPLGFQQPVMNVENGVTVSNFGFFNPLMWPLFVVVLLDNRFIWFFNVLSYVMMPVFVIILFYFYLKKICGCINFKGLSKCCTKHFNQFSKPLVAAGVHGNRTNFTYQPMQEHWCDRHSWYCPKEEHYMTPDMAVYIKNYYNLACAPTADLVWCDYTKSAPTMTWSNFKYSSYKAKETVLCAPSSHADSMLMAWYALLHNVRFTVNPNVVDLPPAVNTIYVSSDSEDSVQDKSQPDVKLRPKKPKGNFKKQSVAYFSREPVDIWYYTTLVIVMGVLFMFMYSCLMVGQYVVMPRDKFFGVNPTGYSYVNAPPYLHAAPPVLQNSDGMILATQLKVPSITYSVYRLLSGHLYFTKLIVSDNECTPPFGAARLSNEFSCNGFTYVLPAHLRFFNRYVMLIHPDQLHMLPFEVEYGSHTRVCYTTGSNSVECLPTFEIISPYVFVFIVVIFTVIFLILIRLYIVMYSYFKVFTYVVFKLLFVNIIMVLFVVCLPPLVPGVVFVLALWLCDSVMFLLYLAFLSLFILPWFYVLFFLFMVGGFVFWWMMRSADVVHLTTDGLTFNGTFEQISKCVFPLNPLIVNRMLLDCQMSHSDLVEKSKLKTTEGKLANEMMKVFMTGETSYYQPSNFSFQSVFSKATSPFTLHARPPMPMFKLYVHFTGSCVGSTSTGTGFAIDDNTIVTAKHLFEYDDLKPTHVSVEIVTRSHSARSASIIWKEPDVKGWTFKGENAYIQVENLKDFYIEDFKYLPFQQIEKDFYKRMEPVTIYSVKYGSEFATQAWQTVNGHFVCYNTEGGDSGAPLVCNGRIVGVHQGLCDNFKTTLASDFEGKMMTEVKGHHVDPPVYYKPIIISAAYNKFVAGEDSSVGDGKNYHKFENEDFACMCKELESVTFGDQLRRYCYNLPQFLEPLQYFHVPSFWQPFKKQSVSNNVSWVVEHLHFIFSIYFLICDFVAYWWLDDPFSVVLPLFFIVQLLSTVFLKNVLFWTTSYLITLAVTFYIHSEVAESMFLLGFLSDRVVNRMSLIIVVAIMCLFVVVRVVVNVKRAIFVFVVSVVLIFVHICLGIVQFNSFVNVVLFDVYAVFTALLTPQPVVAIIMLLLFDTKMLMSFAFIVIVLSFRVFKDYKFVKVLHNFCNFDFVLSQVSLFRYRHRNQGNDPTHYEALWLFLKELYYGIQDAKYEVFSPQAGSYNVKFLTDMTEQDQLEAVEQVQRRLQRFNIVQDKASPRLVLYSKTIEFIKDQIQQQRAVGANPFIITTLTSNDIGLDNVEVHNPANFKPEDLQAHMWFFSKSPVFIGQVPIPTNVQTAAVLDTTYNCQDLTADEKNNVAATLQIQNAAITLSLFEKCTQFLESELGEVPTLMWQAEDVADIKHLESQIENLRKVLDGMQFGTTEYKATRKQLNICQSQLDQAKAFERKLAKFLEKVDQQQAITNETAKQLSAFKNLVKQVYESYMSSLKVKVLEANDASCLLTSTDLPRKLVLMRPITGVDGIKIVEKANGCEITAFGTTFNTGHGSNLAGLAYSTTQPLSAYPFIFNLEGIFKQQANIGYKTVECNMSSHNGSVLYKGKVVAVPSDDNPDFVVCGKGYKLDCGINVLMIPSIVRYITLNLTDHLQKQSLKPRRRLQYRQQGVRLGGVNLGEHQAFSNELISTVGYTTWVSSTVCRDNTHKHPWFVQIPVNEKDPEWFMHNTQLKDNQWVVDLKPTHWLVNADTGEQLFALSLTDEQALKAEAILQKWSPITQDVECWFKDLKGYYTVSGFQPLWPVCPVNICNVRLDPVFKPQSIVYADDPTHFLSLPVVNKNFLAAFYDLQEGFPGKKQVAPHISLTMLKLSDEDIEKVEDILDEMVLPNSWVTITNPHMMGKHYVCDVEGLDSLHDEVVSVLREHGIACDQKRLWKPHLTIGELNDVSFDKFKDFAISCKLEDCDFVKLGAPKANARYEFITTLPLGDLNC
Organism_Source Berne virus
Functional_Classification Enzyme
Cellular_Localization Cytoplasm
Gene_Names None
UniProt_ID P0C6F3
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name BRIP
Peptide_Sequence LLMVNEATRFQTVSGFV
Peptide_Length 17
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)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 1912.23
Aliphatic_Index 102.94118
Aromaticity 0.11765
Average_Rotatable_Bonds 3.64706
Charge_at_pH_7 -0.00024
Isoelectric_Point 6.41015
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 774.99000
X_logP_energy -6.87203
Interaction Information
Affinity IC50=0.52 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A ricin-based peptide BRIP from Hordeum vulgare inhibits Mpro of SARS-CoV-2.
Release_Year 2022
PMID 35896605
DOI 10.1038/s41598-022-15977-y