PPIRE06727
Target Protein Information
| Protein_Name | Neutrophil elastase |
|---|---|
| Protein_Sequence | MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine proteases |
| Cellular_Localization | Extracellular |
| Gene_Names | ELANE |
| UniProt_ID | P08246 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | lc |
|---|---|
| Peptide_Sequence | XXAAPV |
| Peptide_Length | 6 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CN)C(=O)O |
| Chemical_Modification | X1=N-tert-butyloxycarbonyl-DL-2-aminododecanoic acid; X2=DL-2-aminododecanoic acid |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Tert-Butyloxycarbonyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 470.53 |
|---|---|
| Aliphatic_Index | 81.66667 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 1.83333 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 200.03000 |
| X_logP_energy | -2.71290 |
Interaction Information
| Affinity | IC50=0.28 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design of potent lipophilic-peptide inhibitors of human neutrophil elastase: In vitro and in vivo studies |
| Release_Year | 1995 |
| PMID | None |
| DOI | 10.1016/0378-5173(95)00127-5 |