PPIRE05100
Target Protein Information
| Protein_Name | Cathepsin K |
|---|---|
| Protein_Sequence | MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM |
| Organism_Source | Homo sapiens |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Lysosome |
| Gene_Names | CTSK |
| UniProt_ID | P43235 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | lichostatinal |
|---|---|
| Peptide_Sequence | RVSX |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
| Chemical_Modification | X4=agmatine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | aldehyde |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 417.47 |
|---|---|
| Aliphatic_Index | 72.50000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.25000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 232.75000 |
| X_logP_energy | -3.60433 |
Interaction Information
| Affinity | Ki=11 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 4YV8 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts. |
| Release_Year | 2016 |
| PMID | 27498895 |
| DOI | 10.1021/acs.jnatprod.6b00215 |