Ribbon representations of the three dimensional homology models for fusion and individual fission and split proteins. A Left: Ribbon representation of the X-ray crystal structure of
3GYX, which was used as template. 3GYX consists of six copies of a heterodimer that is made up of a large α-helical barrel-like conformation (in orange color) and a smaller molecule in an
extended coil and β-sheet conformation that wraps around the larger component (in blue color). Right: The 3D homology modeled molecular system of the alpha 1,2 mannosidase (in
green color) and the Fra10Ac1 molecule (in red color) in complexed conformation. B. Left: Ribbon representation of the 3D homology model for the riboflavin synthase model superposed
on its X-ray crystal template structure. The theoretical model is in red, whereas the template X-ray crystal structure is shown in green color. Right: Following the spatial organization of the
homotrimeric template complex structure, the 3D model of the complex was established. This trimeric model (shown per monomer in green, red and blue color and wire representation)
was subsequently subjected to docking algorithms in the presence of a single DOT1 molecule (shown in yellow ribbon), also established via computer-aided homology modeling techniques.
Herein is a snapshot of the final complex conformation. C. Left: Ribbon representation of the produced 3D homology model of the COXIIa and COXIIb complex including the
modeled inserts of the fusion sites. COXIIa is showing in red, COXIIb in magenta, the secondary structure predicted α-helical insert in blue and the α-helical structure fromthe Thermotoga
maritima bacteriumin green color. Right: using the previous conventions (C, left), the 3D homology model of COXIIa–b is modeled on the complete two-subunit cytochromec oxidase from
the Paracoccus denitrificans (RCSB entry: 1AR1) crystal structure, which was used as template. D. Ribbon representation of the 3D homology model for the complex of the predicted fusion
event in Phaeodactylum tricornutum. The G6PDH model is in red, whereas the component 6PGDH model is shown in green. E. Ribbon representation of the produced Thalassiosira
pseudonana fusion protein hypothesis 3D model. The GAPDH model is in red, whereas the TIM model is shown in green.