PPIRE01294
Target Protein Information
| Protein_Name | Cathepsin D |
|---|---|
| Protein_Sequence | MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL |
| Organism_Source | Homo sapiens |
| Functional_Classification | aspartic proteases |
| Cellular_Localization | lysosome |
| Gene_Names | CTSD |
| UniProt_ID | P07339 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | L-364-099 |
|---|---|
| Peptide_Sequence | HPFHLXLF |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=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 | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 967.14 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.25000 |
| Charge_at_pH_7 | 0.17980 |
| Isoelectric_Point | 7.71436 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 315.59000 |
| X_logP_energy | 0.43870 |
Interaction Information
| Affinity | Ki=230 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 |