PPIRE06417

Target Protein Information
Protein_Name Protein-arginine deiminase type-4
Protein_Sequence MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKKKSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCADITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDMSLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMVPGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTPNTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAPHKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRGKEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVPAPDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNSFVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPKPFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWNMVP
Organism_Source Homo sapiens
Functional_Classification peptidylarginine deiminases
Cellular_Localization Nucleus
Gene_Names PADI4
UniProt_ID Q9UM07
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Inh-Dap
Peptide_Sequence KSIXDT
Peptide_Length 6
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
Chemical_Modification X4=L-2-furylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 619.67
Aliphatic_Index 65.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 -0.00186
Isoelectric_Point 6.33737
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 11
Topological_Polar_Surface_Area 312.60000
X_logP_energy -4.52340
Interaction Information
Affinity Ki=134.5 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Novel furan-containing peptide-based inhibitors of protein arginine deiminase type IV (PAD4).
Release_Year 2021
PMID 28581157
DOI 10.1111/cbdd.13033