PPIRE16764
Target Protein Information
| Protein_Name | None |
|---|---|
| Protein_Sequence | GTPLQTISSGGTSLLMIDSGTGDNLFAVDVRGIDPEEGRFNNLRLIVERNNLYVTGFVNRTNNVFYRFADFSHVTFPGTTAVTLSGDSSYTTLQRVAGISRTGMQINRHSLTTSYLDLMSHSGTSLTQSVARAMLRFVTVTAEALRFRQIQRGFRTTLDDLSGRSYVMTAEDVDLT |
| Organism_Source | Escherichia coli |
| Functional_Classification | N glycosidases |
| Cellular_Localization | Extracellular |
| Gene_Names | stx1 |
| UniProt_ID | A0A482KDH3 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 2 |
|---|---|
| Peptide_Sequence | WHWTWLRIRKKLR |
| Peptide_Length | 13 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)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 | 1879.29 |
|---|---|
| Aliphatic_Index | 90.00000 |
| Aromaticity | 0.23077 |
| Average_Rotatable_Bonds | 4.61538 |
| Charge_at_pH_7 | 5.08829 |
| Isoelectric_Point | 12.81364 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 21 |
| Number_of_Hydrogen_Bond_Donors | 30 |
| Topological_Polar_Surface_Area | 746.54000 |
| X_logP_energy | -1.07939 |
Interaction Information
| Affinity | KD=6.6 uM |
|---|---|
| Affinity_Assay | Surface Plasmon Resonance |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design of multifunctional peptides expressing both antimicrobial activity and shiga toxin neutralization activity |
| Release_Year | 2005 |
| PMID | 16169733 |
| DOI | 10.1016/j.bmc.2005.07.052 |