10.1371/journal.pone.0134879.g008
Nan Wang
Nan
Wang
Jiahong Jiang
Jiahong
Jiang
Xichen Li
Xichen
Li
Hongwei Tan
Hongwei
Tan
Jimin Zheng
Jimin
Zheng
Guangju Chen
Guangju
Chen
Zongchao Jia
Zongchao
Jia
Average conformation of the YhdE closed state with dTTP bound in MD simulation (a) and the YhdE open state with dTTP bound in MD simulation (b).
Public Library of Science
2015
Free Energy Calculations
YhdE dimerization
allosteric communication network
Molecular Dynamics Simulation Studies
cell metabolism pathway
dTTP binding sites
YhdE Dimerization YhdE
dTTP binding
2015-08-07 03:53:52
Figure
https://plos.figshare.com/articles/figure/_Average_conformation_of_the_YhdE_closed_state_with_dTTP_bound_in_MD_simulation_a_and_the_YhdE_open_state_with_dTTP_bound_in_MD_simulation_b_/1506104
<p>The diagram on the left shows the interactions between dTTP and YhdE residues in the binding pocket. The diagram on the right shows two sodium ions that interact with dTTP and I29, E30 at the same time in the MD simulation.</p>