PPIRE11628
Target Protein Information
| Protein_Name | Proprotein convertase subtilisin/kexin type 9 |
|---|---|
| Protein_Sequence | MGTVSSRRSWWPLPLLLLLLLLLGPAGARAQEDEDGDYEELVLALRSEEDGLAEAPEHGTTATFHRCAKDPWRLPGTYVVVLKEETHLSQSERTARRLQAQAARRGYLTKILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVFAQSIPWNLERITPPRYRADEYQPPDGGSLVEVYLLDTSIQSDHREIEGRVMVTDFENVPEEDGTRFHRQASKCDSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIRKSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPEVITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAHVAGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLVAALPPSTHGAGWQLFCRTVWSAHSGPTRMATAVARCAPDEELLSCSSFSRSGKRRGERMEAQGGKLVCRAHNAFGGEGVYAIARCCLLPQANCSVHTAPPAEASMGTRVHCHQQGHVLTGCSSHWEVEDLGTHKPPVLRPRGQPNQCVGHREASIHASCCHAPGLECKVKEHGIPAPQEQVTVACEEGWTLTGCSALPGTSHVLGAYAVDNTCVVRSRDVSTTGSTSEGAVTAVAICCRSRHLAQASQELQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | proprotein convertases |
| Cellular_Localization | Extracellular |
| Gene_Names | PCSK9 |
| UniProt_ID | Q8NBP7 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Pep3 |
|---|---|
| Peptide_Sequence | CFIPWNLQRIGLLC |
| Peptide_Length | 14 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C1<->C14; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1676.07 |
|---|---|
| Aliphatic_Index | 139.28571 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.64286 |
| Charge_at_pH_7 | 0.87403 |
| Isoelectric_Point | 8.23141 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 22 |
| Topological_Polar_Surface_Area | 596.70000 |
| X_logP_energy | -1.70073 |
Interaction Information
| Affinity | IC50=3.9 uM |
|---|---|
| Affinity_Assay | TR-FRET assay |
| PDB_ID | 5VLL |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. |
| Release_Year | 2017 |
| PMID | 28825733 |
| DOI | 10.1038/nsmb.3453 |