Crystallization (Comment) | Organism |
---|---|
molecular modeling of the complex with inhibitor 5-undecyloxymethyl-2'-deoxyuridine 5'-monophosphate. Inhibitor contacts mainly with amino acid residues of subunits A and C. The hydrophobic substituent at the C-5 position of nucleic base occupies active site mainly due to lipophilic interactions. Several amino acids of the active site such as Arg95, Gln103, Arg107, Arg172, and Gln106 being involved in the interaction with natural substrate dUMP contribute for affinity due to hydrogen bonds | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
5-undecyloxymethyl-2'-deoxyuridine 5'-monophosphate | no activity against classical thymidylate synthase ThyA, EC 2.1.1.45 | Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | - |
- |
- |
Synonyms | Comment | Organism |
---|---|---|
ThyX | - |
Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0083 | - |
pH not specified in the publication, temperature not specified in the publication | Mycobacterium tuberculosis | 5-undecyloxymethyl-2'-deoxyuridine 5'-monophosphate |