PPIRE06807
Target Protein Information
| Protein_Name | Furin |
|---|---|
| Protein_Sequence | MELRPWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQIFGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDVYQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPVPPESSGCKTLTSSQACVVCEEGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPALTDCLSCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEVEAGQRLRAGLLPSHLPEVVAGLSCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEGRGERTAFIKDQSAL |
| Organism_Source | Homo sapiens |
| Functional_Classification | proprotein convertases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | FURIN |
| UniProt_ID | P09958 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | inhibitor 5 |
|---|---|
| Peptide_Sequence | KRRXKR |
| Peptide_Length | 6 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O |
| Chemical_Modification | X4=tert-leucine |
| Cyclization_Method | Side chain-side chain cyclization; K6<->K2; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | 4-amidinobenzylamide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 799.98 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 5.16667 |
| Charge_at_pH_7 | 4.99738 |
| Isoelectric_Point | 12.81364 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 446.56000 |
| X_logP_energy | -5.49849 |
Interaction Information
| Affinity | KD=0.491 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 6HLE |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. |
| Release_Year | 2018 |
| PMID | 30680958 |
| DOI | 10.1002/cmdc.201800807 |