PPIRE15299
Target Protein Information
| Protein_Name | None |
|---|---|
| Protein_Sequence | MKNETEGKMMNEVSTLNPCNRPDRGMSADAGATALFILVIIGVIAAAVWSMWGKKDAGTELTNYQTLATNTIGMMKGVDGYAFTSGAKMTDTLIQAGAAKGMTVSGDPASGSATLWNSWGGQIVVAPDTAGGTGFNNGFTITTNKVPQSACVSISTGMSRSGGTSGIKINGNNHTDAKVTAEIASSECTADNGRTGTNTLVFNYNG |
| Organism_Source | Salmonella typhi |
| Functional_Classification | pilins |
| Cellular_Localization | Extracellular |
| Gene_Names | pilS |
| UniProt_ID | Q9ZIU9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide R |
|---|---|
| Peptide_Sequence | RQERSSLSKPVV |
| Peptide_Length | 12 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C |
| 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 | 1385.59 |
|---|---|
| Aliphatic_Index | 80.83333 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.91667 |
| Charge_at_pH_7 | 1.99946 |
| Isoelectric_Point | 11.47970 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 21 |
| Number_of_Hydrogen_Bond_Donors | 24 |
| Topological_Polar_Surface_Area | 665.53000 |
| X_logP_energy | -8.64186 |
Interaction Information
| Affinity | KD=25 uM |
|---|---|
| Affinity_Assay | Isothermal Titration Calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Functional selection of a type IV pili-binding peptide that specifically inhibits Salmonella Typhi adhesion to/invasion of human monocytic cells |
| Release_Year | 2005 |
| PMID | 16269342 |
| DOI | 10.1016/j.peptides.2005.03.035 |