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In proteins, functional divergence involves mutations that modify structure and dynamics. Here we provide experimental evidence for an evolutionary mechanism driven solely by long-range dynamic motions without significant backbone adjustments, catalytic group rearrangements, or changes in subunit assembly. Crystallographic structures

In proteins, functional divergence involves mutations that modify structure and dynamics. Here we provide experimental evidence for an evolutionary mechanism driven solely by long-range dynamic motions without significant backbone adjustments, catalytic group rearrangements, or changes in subunit assembly. Crystallographic structures were determined for several reconstructed ancestral proteins belonging to a GFP class frequently employed in superresolution microscopy. Their chain flexibility was analyzed using molecular dynamics and perturbation response scanning. The green-to-red photoconvertible phenotype appears to have arisen from a common green ancestor by migration of a knob-like anchoring region away from the active site diagonally across the β barrel fold. The allosterically coupled mutational sites provide active site conformational mobility via epistasis. We propose that light-induced chromophore twisting is enhanced in a reverse-protonated subpopulation, activating internal acid-base chemistry and backbone cleavage to enlarge the chromophore. Dynamics-driven hinge migration may represent a more general platform for the evolution of novel enzyme activities.

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    Title
    • A Hinge Migration Mechanism Unlocks the Evolution of Green-to-Red Photoconversion in GFP-Like Proteins
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    Date Created
    2015-01-06
    Resource Type
  • Text
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    Identifier
    • Digital object identifier: 10.1016/j.str.2014.11.011
    • Identifier Type
      International standard serial number
      Identifier Value
      0969-2126
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    • This is the authors' final, accepted manuscript. The final version as published is available at http://dx.doi.org/10.1016/j.str.2014.11.011

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    Kim, Hanseong, Zou, Taisong, Modi, Chintan, Doerner, Katerina, Grunkemeyer, Timothy J., Chen, Liqing, Fromme, Raimund, Matz, Mikhail V., Ozkan, S. Banu, & Wachter, Rebekka M. (2015). A Hinge Migration Mechanism Unlocks the Evolution of Green-to-Red Photoconversion in GFP-like Proteins. STRUCTURE, 23(1), 34-43. http://dx.doi.org/10.1016/j.str.2014.11.011

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