PPIRE12475
Target Protein Information
| Protein_Name | Protein S100-B |
|---|---|
| Protein_Sequence | MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE |
| Organism_Source | Homo sapiens |
| Functional_Classification | S100 family |
| Cellular_Localization | Cytoplasm |
| Gene_Names | S100B |
| UniProt_ID | P04271 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Dns-W61A |
|---|---|
| Peptide_Sequence | XNTGRTEAAKVLSPQG |
| Peptide_Length | 16 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O |
| Chemical_Modification | X1=2-aminobutyric acid |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Dansyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1585.74 |
|---|---|
| Aliphatic_Index | 55.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.25000 |
| Charge_at_pH_7 | 0.99946 |
| Isoelectric_Point | 9.69503 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 25 |
| Number_of_Hydrogen_Bond_Donors | 26 |
| Topological_Polar_Surface_Area | 763.12000 |
| X_logP_energy | -12.03553 |
Interaction Information
| Affinity | KD=25 mM |
|---|---|
| Affinity_Assay | fluorescence titration |
| PDB_ID | 4XYN |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structural insights into the binding of the human receptor for advanced glycation end products (RAGE)by S100B, as revealed by an S100B-RAGE-derived peptide complex. |
| Release_Year | 2015 |
| PMID | 25945582 |
| DOI | 10.1107/S1399004715004216 |