PPIRE04321
Target Protein Information
| Protein_Name | PA-I galactophilic lectin |
|---|---|
| Protein_Sequence | MAWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS |
| Organism_Source | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) |
| Functional_Classification | lectins |
| Cellular_Localization | Extracellular |
| Gene_Names | lecA |
| UniProt_ID | Q05097 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | GalA-KPY |
|---|---|
| Peptide_Sequence | KPY |
| Peptide_Length | 3 |
| Peptide_SMILES | NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 4-(B-Galactosyloxy)Benzoyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 406.48 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.33333 |
| Charge_at_pH_7 | 0.99684 |
| Isoelectric_Point | 9.29830 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 158.98000 |
| X_logP_energy | -0.04860 |
Interaction Information
| Affinity | KD=2.7 mM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure-based optimization of the terminal tripeptide in glycopeptide dendrimer inhibitors of Pseudomonas aeruginosa biofilms targeting LecA. |
| Release_Year | 2013 |
| PMID | 24307364 |
| DOI | 10.1002/chem.201302587 |