PPIRE16728
Target Protein Information
| Protein_Name | Metallo-beta-lactamase domain-containing protein |
|---|---|
| Protein_Sequence | MFKQIPLGPIQTNAYVLYNDDKEAVIFDPGGDAEALITWLKREQLTPLAILLTHAHFDHIGAVDAVRDTFSIPVYLHTKERHWLEDPALNGSSRLTGRPITTAKPADHLLTNEKSLTIGTFTFSVFHTPGHSPGSVSYYYQKEAVLFSGDVLFQQSIGRTDLRGGDHTLLLASIHNKILPLPERTIVASGHGPLTTIGQEMDHNPFLTGY |
| Organism_Source | Shouchella lehensis G1 |
| Functional_Classification | metallo u lactamase |
| Cellular_Localization | Extracellular |
| Gene_Names | None |
| UniProt_ID | A0A060M4R1 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | SSWWDR |
|---|---|
| Peptide_Sequence | SSWWDR |
| Peptide_Length | 6 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 835.87 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.83333 |
| Charge_at_pH_7 | -0.00157 |
| Isoelectric_Point | 6.33872 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 15 |
| Topological_Polar_Surface_Area | 380.06000 |
| X_logP_energy | -3.00713 |
Interaction Information
| Affinity | KD=992 nM |
|---|---|
| Affinity_Assay | Isothermal Titration Calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design and Characterisation of Inhibitory Peptides against Bleg1_2478 an Evolutionary Divergent B3 Metallo-u-lactamase |
| Release_Year | 2020 |
| PMID | 33316879 |
| DOI | 10.3390/molecules25245797 |