PPIRE07792
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 | LR |
|---|---|
| Peptide_Sequence | LSCQLYQR |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)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 | 1010.18 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 4.12500 |
| Charge_at_pH_7 | 0.93516 |
| Isoelectric_Point | 8.52721 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 17 |
| Topological_Polar_Surface_Area | 455.56000 |
| X_logP_energy | -4.45123 |
Interaction Information
| Affinity | KD=151 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 3N5E |
| Type | Allosteric modulator |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. |
| Release_Year | 2011 |
| PMID | 21795601 |
| DOI | 10.1073/pnas.1104829108 |