Structure and dynamics of Mycobacterium tuberculosis tyrosyl-tRNA synthetase in complex with SB-219383 inhibitor

1Mykuliak, VV, 1Kornelyuk, AI
1Institute of Molecular Biology and Genetics of the NAS of Ukraine, Kyiv
Dopov. Nac. akad. nauk Ukr. 2014, 6:156-159
https://doi.org/10.15407/dopovidi2014.06.156
Section: Biophysics
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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