PPIRE06945
Target Protein Information
| Protein_Name | Serine protease HTRA1 |
|---|---|
| Protein_Sequence | MQIPRAALLPLLLLLLAAPASAQLSRAGRSAPLAAGCPDRCEPARCPPQPEHCEGGRARDACGCCEVCGAPEGAACGLQEGPCGEGLQCVVPFGVPASATVRRRAQAGLCVCASSEPVCGSDANTYANLCQLRAASRRSERLHRPPVIVLQRGACGQGQEDPNSLRHKYNFIADVVEKIAPAVVHIELFRKLPFSKREVPVASGSGFIVSEDGLIVTNAHVVTNKHRVKVELKNGATYEAKIKDVDEKADIALIKIDHQGKLPVLLLGRSSELRPGEFVVAIGSPFSLQNTVTTGIVSTTQRGGKELGLRNSDMDYIQTDAIINYGNSGGPLVNLDGEVIGINTLKVTAGISFAIPSDKIKKFLTESHDRQAKGKAITKKKYIGIRMMSLTSSKAKELKDRHRDFPDVISGAYIIEVIPDTPAEAGGLKENDVIISINGQSVVSANDVSDVIKRESTLNMVVRRGNEDIMITVIPEEIDP |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine protease |
| Cellular_Localization | Extracellular |
| Gene_Names | HTRA1 |
| UniProt_ID | Q92743 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | DPMFKLboroV |
|---|---|
| Peptide_Sequence | DPMFKLX |
| Peptide_Length | 7 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O |
| Chemical_Modification | X7=C-terminal boronic acid valine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | boronic acid |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 806.98 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.57143 |
| Charge_at_pH_7 | -0.00186 |
| Isoelectric_Point | 6.33737 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 292.45000 |
| X_logP_energy | -0.90970 |
Interaction Information
| Affinity | IC50=2.6 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 3NZI |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Substrate-induced remodeling of the active site regulates human HTRA1 activity. |
| Release_Year | 2011 |
| PMID | 21297635 |
| DOI | 10.1038/nsmb.2013 |