PPIRE06133
Target Protein Information
| Protein_Name | Macrophage metalloelastase |
|---|---|
| Protein_Sequence | MKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPVTKMKYSGNLMKEKIQEMQHFLGLKVTGQLDTSTLEMMHAPRCGVPDVHHFREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYGDPKENQRLPNPDNSEPALCDPNLSFDAVTTVGNKIFFFKDRFFWLKVSERPKTSVNLISSLWPTLPSGIEAAYEIEARNQVFLFKDDKYWLISNLRPEPNYPKSIHSFGFPNFVKKIDAAVFNPRFYRTYFFVDNQYWRYDERRQMMDPGYPKLITKNFQGIGPKIDAVFYSKNKYYYFFQGSNQFEYDFLLQRITKTLKSNSWFGC |
| Organism_Source | Homo sapiens |
| Functional_Classification | metalloproteinases |
| Cellular_Localization | Extracellular |
| Gene_Names | MMP12 |
| UniProt_ID | P39900 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | ZHAWOC7726 |
|---|---|
| Peptide_Sequence | XXXSA |
| Peptide_Length | 5 |
| Peptide_SMILES | C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CN)C(=O)O |
| Chemical_Modification | X1=alkyne-functional amino acid; X2=p-trifluoromethoxy biphenylalanine; X3=azido-functional amino acid |
| Cyclization_Method | Side chain-side chain cyclization; X1<->X3; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 347.33 |
|---|---|
| Aliphatic_Index | 20.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 199.95000 |
| X_logP_energy | -4.75610 |
Interaction Information
| Affinity | IC50=74 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Drug Design Inspired by Nature: Crystallographic Detection of an Auto-Tailored Protease Inhibitor Template. |
| Release_Year | 2018 |
| PMID | 30615822 |
| DOI | 10.1002/anie.201812348 |