PPIRE03301
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-1 |
|---|---|
| Peptide_Sequence | PAKSARXSVR |
| Peptide_Length | 10 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | X7=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 | 1028.18 |
|---|---|
| Aliphatic_Index | 49.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.40000 |
| Charge_at_pH_7 | 2.99768 |
| Isoelectric_Point | 12.51648 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 16 |
| Number_of_Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 501.51000 |
| X_logP_energy | -7.84646 |
Interaction Information
| Affinity | Ki=97.1 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 |