PPIRE03228

Target Protein Information
Protein_Name Polyprotein P1234
Protein_Sequence MKVTVDVEADSPFLKALQKAFPAFEVESQQVTPNDHANARAFSHLATKLIEQEVPTGVTILDVGSAPARRLMSDHTYHCICPMKSAEDPERLANYARKLAKASGTVLDKNVSGKITDLQDVMATPDLESPTFCLHTDETCRTRAEVAVYQDVYAVHAPTSLYHQAIKGVRTAYWIGFDTTPFMFEALAGAYPAYSTNWADEQVLQARNIGLCATGLSEGRRGKLSIMRKKCLRPSDRVMFSVGSTLYTESRKLLRSWHLPSVFHLKGKNSFTCRCDTVVSCEGYVVKKITISPGIYGKTVDYAVTHHAEGFLMCKITDTVRGERVSFPVCTYVPATICDQMTGILATDVTPEDAQKLLVGLNQRIVVNGRTQRNTNTMKNYLLPVVAQAFSKWAREARADMEDEKPLGTRERTLTCCCLWAFKSHKIHTMYKRPETQTIVKVPSTFDSFVIPSLWSSSLSMGIRQRIKLLLSARMAQGLPYSGDRTEARAAEEEEKEVQEAELTRAALPPLVSGSCADDIAQVDVEELTFRAGAGVVETPRNALKVTPQAHDHLIGSYLILSPQTVLKSEKLAPIHPLAEQVTVMTHSGRSGRYPVDKYDGRVLIPTGAAIPVSEFQALSESATMVYNEREFINRKLHHIALYGPALNTDEESYEKVRAERAETEYVFDVDKKACIKKEEASGLVLTGDLINPPFHEFAYEGLKIRPAAPYHTTIIGVFGVPGSGKSAIIKNMVTTRDLVASGKKENCQEIMNDVKRQRGLDVTARTVDSILLNGCKKGVENLYVDEAFACHSGTLLALIALVRPSGKVVLCGDPKQCGFFNLMQLKVHYNHNICTRVLHKSISRRCTLPVTAIVSTLHYQGKMRTTNRCNTPIQIDTTGSSKPASGDIVLTCFRGWVKQLQIDYRGHEVMTAAASQGLTRKGVYAVRQKVNENPLYSPLSEHVNVLLTRTENRLVWKTLSGDPWIKVLTNVPRGDFSATLEEWHEEHDGIMRVLNERPAEVDPFQNKAKVCWAKCLVQVLETAGIRMTADEWNTILAFREDRAYSPEVALNEICTRYYGVDLDSGLFSAQSVSLFYENNHWDNRPGGRMYGFNHEVARKYAARFPFLRGNMNSGLQLNVPERKLQPFSAECNIVPSNRRLPHALVTSYQQCRGERVEWLLKKIPGHQMLLVSEYNLVIPHKRVFWIAPPRVSGADRTYDLDLGLPMDAGRYDLVFVNIHTEYRQHHYQQCVDHSMRLQMLGGDSLHLLRPGGSLLMRAYGYADRVSEMVVTALARKFSAFRVLRPACVTSNTEVFLLFSNFDNGRRAVTLHQANQKLSSMYACNGLHTAGCAPSYRVRRADISGHSEEAVVNAANAKGTVSDGVCRAVAKKWPSSFKGAATPVGTAKMIRADGMTVIHAVGPNFSTVTEAEGDRELAAAYRAVASIISTNNIKSVAVPLLSTGTFSGGKDRVMQSLNHLFTALDATDADVVIYCRDKNWEKKIQEAIDRRTAIELVSEDVTLETDLVRVHPDSCLVGRNGYSATDGKLYSYLEGTRFHQTAVDMAEISTLWPRLQDANEQICLYALGETMDSIRTKCPVEDADSSTPPKTVPCLCRYAMTAERVARLRMNNTKNIIVCSSFPLPKYRIEGVQKVKCDRVLIFDQTVPSLVSPRKYIQQPPEQLDNVSLTSTTSTGSAWSFPSETTYETMEVVAEVHTEPPIPPPRRRRAAVAQLRQDLEVTEEIEPYVTQQAEIMVMERVATTDIRAIPVPARRAITMPVPAPRVRKVATEPPLEPEAPIPAPRKRRTTSTSPPHNPEDFVPRVPVELPWEPEDLDIQFGDLEPRRRNTRDRDVSTGIQFGDIDFNQSXLGRAGAYIFSSDTGPGHLQQKSVRQHELPCETLYAHEDERIYPPAFDGEKEKVLQAKMQMAPTEANKSRYQSRKVENMKALIVERLREGAKLYLHEQTDKVPTYTSKYPRPVYSPSVDDSLSDPEVAVAACNSFLEENYPTVANYQITDEYDAYLDLVDGSESCLDRATFCPAKLRCYPKHHAYHQPQIRSAVPSPFQNTLQNVLAAATKRNCNVTQMRELPTMDSAVFNVESFKKYACTGEYWQEFKDNPIRITTENITTYVAKLKGPKAAALFAKTHNLVPLQEVPMDRFVMDMKRDVKVTPGTKHTEERPKVQVIQAAEPLATAYLCGIHRELVRRLKAVLTPNIHTLFDMSAEDFDAIIAAHFQPGDAVLETDIASFDKSQDDSLALTALMLLEDLGVDQELLDLIEAAFGEITSVHLPTGTRFKFGAMMKSGMFLTLFINTLLNIVIACRVLRDKLSSSACAAFIGDDNIVHGVRSDPLMAERCASWVNMEVKIIDATMCEKPPYFCGGFILYDSVAGTACRVADPLKRLFKLGKPLPADDNQDEDRRRALKDETVKWSRIGLREELDVALSSRYQVSGVGNITRAMSTLSKSLKSFRKIRGPIIHLYGGPK
Organism_Source Getah virus
Functional_Classification Enzyme
Cellular_Localization Cytoplasm
Gene_Names None
UniProt_ID Q5Y389
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name P5
Peptide_Sequence NAMSHVMEGSHINWDA
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1798.97
Aliphatic_Index 55.00000
Aromaticity 0.06250
Average_Rotatable_Bonds 3.56250
Charge_at_pH_7 -1.81798
Isoelectric_Point 5.29612
Number_of_Hydrogen_Bond_Acceptors 27
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 774.21000
X_logP_energy -8.71970
Interaction Information
Affinity IC50=316.9 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Novel peptide inhibitor for the Chikungunya virus nsP2 protease: Identification and characterization.
Release_Year 2025
PMID 40165933
DOI 10.1016/j.crmicr.2025.100376