PPIRE03226

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 P1
Peptide_Sequence VMPWDEWLTKRKPELP
Peptide_Length 16
Peptide_SMILES CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)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 2025.40
Aliphatic_Index 66.87500
Aromaticity 0.12500
Average_Rotatable_Bonds 3.81250
Charge_at_pH_7 0.00139
Isoelectric_Point 6.58340
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 751.10000
X_logP_energy -1.75543
Interaction Information
Affinity KD=1.39 uM
Affinity_Assay MicroScale Thermophoresis
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