RMSD vs. simulation time of the catalytic loop (loop-4) in each model.

https://doi.org/10.1371/journal.pone.0134879.g010
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posted on 2015-08-07, 03:53 authored by Nan Wang, Jiahong Jiang, Xichen Li, Hongwei Tan, Jimin Zheng, Guangju Chen, Zongchao Jia

<p>Loop-4-1 and loop-4-2 represent two loop-4s in the model because of two YhdE molecules. RMSD vs. time of loop-4 in the apo-YhdE monomer of open/closed state is shown for comparison.</p>

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DOI - Is supplement to Molecular Dynamics Simulation Studies of dTTP Binding and Catalysis Mediated by YhdE Dimerization

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Keywords

Free Energy Calculations YhdE dimerization allosteric communication network Molecular Dynamics Simulation Studies cell metabolism pathway dTTP binding sites YhdE Dimerization YhdE dTTP binding

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