Differential atomic interactions upon nucleotide binding obtained from X-ray structures and MD simulations.
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The average difference in distance () is shown for each of the three calculations; between X-ray t and r″ (column 1), MD simulations of t with and without ATP (column 2), and X-ray t and ATP bound t conformers (column 3). Negative values (above mid rule) depict interactions present (or closer) in the nucleotide free state (unliganded), while positive values (below mid rule) depict interactions closer in the nucleotide bound state.
创建时间:
2015-12-02



