PPIRE17378
Target Protein Information
| Protein_Name | Protein S100-B |
|---|---|
| Protein_Sequence | MSELEKAVVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDSDGDGECDFQEFMAFVAMITTACHEFFEHE |
| Organism_Source | Bos taurus |
| Functional_Classification | EF hand calcium binding proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | S100B |
| UniProt_ID | P02638 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | TAMRARTK-12-am |
|---|---|
| Peptide_Sequence | TRTKIDWNKILS |
| Peptide_Length | 12 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | TAMRA |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1474.72 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.08333 |
| Average_Rotatable_Bonds | 4.16667 |
| Charge_at_pH_7 | 1.99784 |
| Isoelectric_Point | 10.78901 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 21 |
| Number_of_Hydrogen_Bond_Donors | 24 |
| Topological_Polar_Surface_Area | 654.23000 |
| X_logP_energy | -5.78133 |
Interaction Information
| Affinity | KD=1.2 uM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The Effects of CapZ Peptide (TRTK-12) Binding to S100Ba2+ as Examined by NMR and X-ray Crystallography |
| Release_Year | 2010 |
| PMID | 20053360 |
| DOI | 10.1016/j.jmb.2009.12.057 |