PPIRE01519
Target Protein Information
| Protein_Name | Cathepsin E |
|---|---|
| Protein_Sequence | MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP |
| Organism_Source | Homo sapiens |
| Functional_Classification | aspartic proteases |
| Cellular_Localization | lysosome |
| Gene_Names | CTSE |
| UniProt_ID | P14091 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | L-364,099 |
|---|---|
| Peptide_Sequence | HPFHX |
| Peptide_Length | 5 |
| Peptide_SMILES | N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O |
| Chemical_Modification | X6=4-amino-5-cyclohexyl-3-hydroxypentanoic acid |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Isovaleryl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 593.64 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 2.80000 |
| Charge_at_pH_7 | 0.17980 |
| Isoelectric_Point | 7.71436 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 228.29000 |
| X_logP_energy | -1.35060 |
Interaction Information
| Affinity | Ki=60 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | X-ray studies of aspartic proteinase-statine inhibitor complexes. |
| Release_Year | 1989 |
| PMID | 2690945 |
| DOI | 10.1021/bi00447a049 |