PPIRE07773
Target Protein Information
| Protein_Name | TYMS opposite strand protein |
|---|---|
| Protein_Sequence | MTPASGATASLGRLRARPRSRWDAAYLPAVAAVCVARASHVPNGTLRFGVCKARRTMRPLPRRIEVRTKRGPQRPAAPERSPQPRLPPSRHPSRRGPRRHLSGCSAPACRIPTGCRCPCGRPS |
| Organism_Source | Homo sapiens |
| Functional_Classification | methyltransferases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | TYMSOS |
| UniProt_ID | Q8TAI1 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 5 |
|---|---|
| Peptide_Sequence | LCQFYVVN |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)C |
| 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 | 985.17 |
|---|---|
| Aliphatic_Index | 121.25000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.62500 |
| Charge_at_pH_7 | -0.06484 |
| Isoelectric_Point | 5.91950 |
|---|---|
| Hydrogen_Bond_Acceptors | 13 |
| Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 373.43000 |
| X_logP_energy | -1.58830 |
Interaction Information
| Affinity | IC50=300 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. |
| Release_Year | 2015 |
| PMID | 25427005 |
| DOI | 10.1021/jm5011176 |