PPIRE03303
Target Protein Information
| Protein_Name | Proprotein convertase subtilisin/kexin type 4 |
|---|---|
| Protein_Sequence | MRPSQTALWLGLVLSLALLAVGWASARPPIYVSSWAVRVTKGYQEAERLARKFGFVNLGQIFPDDQYFHLRHRGVAQQSLTPHWGHRLRLKKEPKVRWFEQQTLRRRVKRSLVVPTDPWFSKQWYMNKEIEQDLNILKVWNQGLTGRGVVVSILDDGIEKDHPDLWANYDPLASYDFNDYDPDPQPRYTPNDENRHGTRCAGEVSATANNGFCGAGVAFNARIGGVRMLDGAITDIVEAQSLSLQPQHIHIYSASWGPEDDGRTVDGPGLLTQEAFRRGVTKGRQGLGTLFIWASGNGGLHYDNCNCDGYTNSIHTLSVGSTTRQGRVPWYSEACASTFTTTFSSGVVTDPQIVTTDLHHQCTDKHTGTSASAPLAAGMIALALEANPLLTWRDLQHLVVRASRPAQLQAEDWRINGVGRQVSHHYGYGLLDAGLLVDLARVWLPTKPQKKCTIRVVHTPTPILPRMLVPKNVTVCCDGSRRRLIRSLEHVQVQLSLSYSRRGDLEIFLTSPMGTRSTLVAIRPLDISGQGYNNWIFMSTHYWDEDPQGLWTLGLENKGYYYNTGTLYYCTLLLYGTAEDMTARPQTPQESHCPLSIVAELCLISSKQWWWLYSHTQQPVTKGQDSCHPPTTPARQLDQRLHCLFPAPHAGSASEPLQGLSPLAAILAISLGPWCCPC |
| Organism_Source | Rattus norvegicus |
| Functional_Classification | Enzyme |
| Cellular_Localization | Extracellular |
| Gene_Names | Pcsk4 |
| UniProt_ID | Q78EH2 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PCSK4-Eda-3 |
|---|---|
| Peptide_Sequence | RVKNKGRRXIAY |
| Peptide_Length | 12 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | X9=Ene-diyne amino acid |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1417.68 |
|---|---|
| Aliphatic_Index | 65.00000 |
| Aromaticity | 0.08333 |
| Average_Rotatable_Bonds | 4.16667 |
| Charge_at_pH_7 | 4.99653 |
| Isoelectric_Point | 12.24772 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 26 |
| Topological_Polar_Surface_Area | 684.48000 |
| X_logP_energy | -7.41259 |
Interaction Information
| Affinity | Ki=165.2 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Enediynyl peptides and iso-coumarinyl methyl sulfones as inhibitors of proprotein convertases PCSK8/SKI-1/S1P and PCSK4/PC4: Design, synthesis and biological evaluations. |
| Release_Year | 2015 |
| PMID | 25881830 |
| DOI | 10.1016/j.bmcl.2015.03.029 |