Fig. 9: Comparison of molecular dynamics simulations of AeDHPAAS, DmDHPAAS, and DmDDC over 500 ns. | Nature Communications

Fig. 9: Comparison of molecular dynamics simulations of AeDHPAAS, DmDHPAAS, and DmDDC over 500 ns.

From: 3,4-Dihydroxyphenylacetaldehyde synthase evolved an ordered structure to deliver oxygen to pyridoxal 5’-phosphate for cuticle assembly in the mosquito Aedes aegypti

Fig. 9

a Backbone root mean square deviation (RMSD) values for each simulation. b Comparison of distances between Phe103/Phe106 and lysine-pyridoxal 5′-phosphate (LLP) in each simulation. c–f Backbone root mean square fluctuation values for each simulation. Data from simulations of the AeDHPAAS model with LLP, the AeDHPAAS model with LLP and dopa, the DmDHPAAS crystal structure with LLP, and the DmDDC crystal structure with LLP are distinguished by peach, orange, dark green, and gray lines, respectively.

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