PPIRE10815
Target Protein Information
| Protein_Name | Protein S100-B |
|---|---|
| Protein_Sequence | MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE |
| Organism_Source | Homo sapiens |
| Functional_Classification | EF-hand calcium-binding proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | S100B |
| UniProt_ID | P04271 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | TRTK-12 |
|---|---|
| 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 | Free |
| C-terminal_Modification | Free |
| 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=200 nM |
|---|---|
| Affinity_Assay | not specified |
| PDB_ID | 1MWN |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12. |
| Release_Year | 2002 |
| PMID | 12470955 |
| DOI | 10.1016/S0022-2836(02)01152-X |