PPIRE02596
Target Protein Information
| Protein_Name | Neutrophil elastase |
|---|---|
| Protein_Sequence | MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Extracellular |
| Gene_Names | ELANE |
| UniProt_ID | P08246 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 22c |
|---|---|
| Peptide_Sequence | VXX |
| Peptide_Length | 3 |
| Peptide_SMILES | CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X2=N-(2,3-dihydro-1H-inden-2-yl)glycine; X3=a,a-difluoromethylene ketone of L-valine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Other |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 231.25 |
|---|---|
| Aliphatic_Index | 96.66667 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 121.52000 |
| X_logP_energy | -1.71330 |
Interaction Information
| Affinity | IC50=0.404 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Inhibition of human leukocyte elastase by N-substituted peptides containing alpha,alpha-difluorostatone residues at P1. |
| Release_Year | 1992 |
| PMID | 1479581 |
| DOI | 10.1021/jm00104a004 |