Title | Structure and dynamics of Mycobacterium tuberculosis tyrosyl-tRNA synthetase in complex with SB-219383 inhibitor |
Publication Type | Journal Article |
Year of Publication | 2014 |
Authors | Mykuliak, VV, Kornelyuk, AI |
Abbreviated Key Title | Dopov. Nac. akad. nauk Ukr. |
DOI | 10.15407/dopovidi2014.06.156 |
Issue | 6 |
Section | Biophysics |
Pagination | 156-159 |
Date Published | 6/2014 |
Language | Ukrainian |
Abstract | Inhibitor SB-219383 and its analogues are a class of potential inhibitors of bacterial tyrosyl-tRNA synthetases. To study the dynamic pharmacophore features, we have performed molecular dynamics simulations of M. tuberculosis tyrosyl-tRNA synthetase in complex with SB-219383 inhibitor. The inhibitor binds to the active center of the enzyme interacting with the region of binding of tyrosine and a phosphate group. SB-219383 does not interact with the catalytic KMSKS loop. |
Keywords | Mycobacterium tuberculosis, SB-219383 inhibitor, tyrosyl-tRNA synthetase |
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