PPIRE03744
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 | FR901277 |
|---|---|
| Peptide_Sequence | XTXXFXV |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Other |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 593.64 |
|---|---|
| Aliphatic_Index | 41.42857 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 2.42857 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 9 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 258.15000 |
| X_logP_energy | -3.88780 |
Interaction Information
| Affinity | IC50=180 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 ? resolution |
| Release_Year | 2000 |
| PMID | None |
| DOI | 10.1002/(sici)1097-0282(20000415)53:5<434::aid-bip7>3.0.co;2-5 |