Fig. 3: Cryo-electron microscopy structures of AdhE and BdhE suggesting convergence of inter-domain interactions.
From: Repeatability of protein structural evolution following convergent gene fusions
a The density maps of AdhE and BdhE. b The negative stain electron microscopy analysis of AdhE and BdhE. Scale bars represent 100.0 nm. The images represent only one zoomed-in view of the entire image. See also Supplementary Fig. 7c for the full images. c The structural models of AdhE and BdhE superimposed with electron density maps. The red, yellow, and blue parts represent different dimeric structural units. d The structure of dimeric structural units of AdhE polymers and BdhE tetramers shown in c. Green and cyan molecules represent different protein molecules. e A cross-section of BdhE tetramer where ALDH and ADH domains were closely positioned. The transparent orange path represents the tunnel through which substrates pass. f Docking simulation results of a BdhE dimer and an acetaldehyde molecule. The yellow molecular structures represent 955 possible docking positions of acetaldehyde within 4 kcal/mol from the lowest-energy position.
