PPIRE07065
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 | GalBG1 |
|---|---|
| Peptide_Sequence | KPLKFKI |
| Peptide_Length | 7 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Galb |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 873.15 |
|---|---|
| Aliphatic_Index | 111.42857 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 4.28571 |
| Charge_at_pH_7 | 2.99710 |
| Isoelectric_Point | 11.10307 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 307.19000 |
| X_logP_energy | 0.53520 |
Interaction Information
| Affinity | KD=2.1 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A glycopeptide dendrimer inhibitor of the galactose-specific lectin LecA and of Pseudomonas aeruginosa biofilms. |
| Release_Year | 2011 |
| PMID | 21919164 |
| DOI | 10.1002/anie.201104342 |