PPIRE14942
Target Protein Information
| Protein_Name | Legumain |
|---|---|
| Protein_Sequence | MVWKVAVFLSVALGIGAVPIDDPEDGGKHWVVIVAGSNGWYNYRHQADACHAYQIIHRNGIPDEQIVVMMYDDIAYSEDNPTPGIVINRPNGTDVYQGVPKDYTGEDVTPQNFLAVLRGDAEAVKGIGSGKVLKSGPQDHVFIYFTDHGSTGILVFPNEDLHVKDLNETIHYMYKHKMYRKMVFYIEACESGSMMNHLPDNINVYATTAANPRESSYACYYDEKRSTYLGDWYSVNWMEDSDVEDLTKETLHKQYHLVKSHTNTSHVMQYGNKTISTMKVMQFQGMKRKASSPVPLPPVTHLDLTPSPDVPLTIMKRKLMNTNDLEESRQLTEEIQRHLDARHLIEKSVRKIVSLLAASEAEVEQLLSERAPLTGHSCYPEALLHFRTHCFNWHSPTYEYALRHLYVLVNLCEKPYPLHRIKLSMDHVCLGHY |
| Organism_Source | Homo sapiens |
| Functional_Classification | asparaginyl endopeptidases |
| Cellular_Localization | Lysosome |
| Gene_Names | LGMN |
| UniProt_ID | Q99538 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Cbz-Ala-Ala-AAsn-(2S,3S)-EP-CON(nBu)2 |
|---|---|
| Peptide_Sequence | AAXX |
| Peptide_Length | 4 |
| Peptide_SMILES | C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X3=N-aza-asparagine; X4=epoxysuccinyl-CON(nBu)2 |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Cbz |
| C-terminal_Modification | N-dibutyl amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 274.28 |
|---|---|
| Aliphatic_Index | 50.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 1.75000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 150.62000 |
| X_logP_energy | -2.84470 |
Interaction Information
| Affinity | IC50=70 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Aza-peptide epoxides: potent and selective inhibitors of Schistosoma mansoni and pig kidney legumains (asparaginyl endopeptidases). |
| Release_Year | 2003 |
| PMID | 14719804 |
| DOI | 10.1515/BC.2003.179 |