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Literature summary for 2.1.1.45 extracted from
- Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides (2015), J. Med. Chem., 58, 1012-1018 .
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| expression in Escherichia coli | Homo sapiens |
Crystallization (Commentary)
| Crystallization (Comment) | Organism |
|---|---|
| mutant K47A in complex with inhibitor CQLYQRSG | Homo sapiens |
Protein Variants
| Protein Variants | Comment | Organism |
|---|---|---|
| F59A | crucial dimer interface residue | Homo sapiens |
| K47A | mutation at dimer interface | Homo sapiens |
| L198A | crucial dimer interface residue | Homo sapiens |
| Y202A | crucial dimer interface residue, activity similar to wild-type | Homo sapiens |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| CQLYQRSG | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens |  |
| LCQFYVVN | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens | |
| LSCQLYQR | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens | |
| QFYVVNSE | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens | |
| SELSCQLY | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens | |
| VNSELSCQ | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens | |
| YVVNSELS | allosteric peptide inhibitor, binds to the dimer interface and stabilizes the inactive form of the protein | Homo sapiens | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P04818 | - |
- |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| TYMS | - |
Homo sapiens |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.03 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | SELSCQLY | |
| 0.045 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | SELSCQLY | |
| 0.05 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | VNSELSCQ | |
| 0.052 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | SELSCQLY | |
| 0.053 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | VNSELSCQ | |
| 0.056 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | QFYVVNSE | |
| 0.057 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.057 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | YVVNSELS | |
| 0.062 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | YVVNSELS | |
| 0.063 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | CQLYQRSG | |
| 0.067 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.068 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.068 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | CQLYQRSG | |
| 0.068 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | CQLYQRSG | |
| 0.071 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | QFYVVNSE | |
| 0.075 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.075 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LCQFYVVN | |
| 0.075 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | YVVNSELS | |
| 0.08 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LCQFYVVN | |
| 0.081 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | QFYVVNSE | |
| 0.088 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LCQFYVVN | |
| 0.088 | - |
wild-type, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | VNSELSCQ | |
| 0.12 | - |
mutant F59A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LCQFYVVN | |
| 0.152 | - |
mutant K47A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.188 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LCQFYVVN | |
| 0.3 | - |
mutant F59A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.3 | - |
mutant F59A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | SELSCQLY | |
| 0.3 | - |
mutant F59A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | YVVNSELS | |
| 0.3 | - |
mutant F59A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | VNSELSCQ | |
| 0.3 | - |
mutant F59A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | CQLYQRSG | |
| 0.3 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.3 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | SELSCQLY | |
| 0.3 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | QFYVVNSE | |
| 0.3 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | YVVNSELS | |
| 0.3 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | VNSELSCQ | |
| 0.3 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | CQLYQRSG | |
| 0.3 | - |
mutant Y202A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
| 0.5 | - |
mutant L198A, pH not specified in the publication, temperature not specified in the publication | Homo sapiens | LSCQLYQR | |
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Release 2023.1 (January 2023)
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