PPIRE16422
Target Protein Information
| Protein_Name | Maltose/maltodextrin-binding periplasmic protein |
|---|---|
| Protein_Sequence | MKIKTGARILALSALTTMMFSASALAKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITK |
| Organism_Source | Escherichia coli O157:H7 |
| Functional_Classification | ATP-binding cassette (ABC) transporter substrate-binding protein (SBP) |
| Cellular_Localization | Extracellular |
| Gene_Names | malE |
| UniProt_ID | P0AEY0 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | MBP-6 |
|---|---|
| Peptide_Sequence | PQKGGMWD |
| Peptide_Length | 8 |
| Peptide_SMILES | CSCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 918.03 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 3.62500 |
| Charge_at_pH_7 | -0.00186 |
| Isoelectric_Point | 6.33737 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 375.23000 |
| X_logP_energy | -3.17430 |
Interaction Information
| Affinity | KD=1300 uM |
|---|---|
| Affinity_Assay | Surface Plasmon Resonance |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | In Silico Generation of Peptides by Replica Exchange Monte Carlo: Docking-Based Optimization of Maltose-Binding-Protein Ligands |
| Release_Year | 2015 |
| PMID | 26252476 |
| DOI | 10.1371/journal.pone.0133571 |