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).
Nan Wang
Jiahong Jiang
Xichen Li
Hongwei Tan
Jimin Zheng
Guangju Chen
Zongchao Jia
10.1371/journal.pone.0134879.g008
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>
2015-08-07 03:53:52
Free Energy Calculations
YhdE dimerization
allosteric communication network
Molecular Dynamics Simulation Studies
cell metabolism pathway
dTTP binding sites
YhdE Dimerization YhdE
dTTP binding