PPIRE03227

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 P2
Peptide_Sequence HTSRIYIPSPIHAENI
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)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 1848.09
Aliphatic_Index 103.75000
Aromaticity 0.06250
Average_Rotatable_Bonds 3.43750
Charge_at_pH_7 0.18072
Isoelectric_Point 7.70653
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 762.81000
X_logP_energy -6.86423
Interaction Information
Affinity IC50=194.7 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