PPIRE14643
Target Protein Information
| Protein_Name | Protein S100-A4 |
|---|---|
| Protein_Sequence | MACPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGKRTDEAAFQKLMSNLDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK |
| Organism_Source | Homo sapiens |
| Functional_Classification | calcium-binding proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | S100A4 |
| UniProt_ID | P26447 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | M39 |
|---|---|
| Peptide_Sequence | QTQLQELDSGSRQLLEADSAALQAQELSGELSDVALQEL |
| Peptide_Length | 39 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)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 | 4185.52 |
|---|---|
| Aliphatic_Index | 110.25641 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.79487 |
| Charge_at_pH_7 | -6.99180 |
| Isoelectric_Point | 3.41764 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 62 |
| Number_of_Hydrogen_Bond_Donors | 64 |
| Topological_Polar_Surface_Area | 1952.43000 |
| X_logP_energy | -24.53393 |
Interaction Information
| Affinity | KD=0.24 nM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | 2LNK |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Asymmetric mode of Ca2?-S100A4 interaction with nonmuscle myosin IIA generates nanomolar affinity required for filament remodeling. |
| Release_Year | 2012 |
| PMID | 22483112 |
| DOI | 10.1016/j.str.2012.02.002 |