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000283547 1001_ $$0P:(DE-Juel1)140278$$aStadler, Andreas$$b0$$eCorresponding author$$ufzj
000283547 245__ $$aPhotoactivation Reduces Side-Chain Dynamics of a LOV Photoreceptor
000283547 260__ $$aCambridge, Mass.$$bCell Press$$c2016
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000283547 520__ $$aWe used neutron-scattering experiments to probe the conformational dynamics of the light, oxygen, voltage (LOV) photoreceptor PpSB1-LOV from Pseudomonas putida in both the dark and light states. Global protein diffusion and internal macromolecular dynamics were measured using incoherent neutron time-of-flight and backscattering spectroscopy on the picosecond to nanosecond timescales. Global protein diffusion of PpSB1-LOV is not influenced by photoactivation. Observation-time-dependent global diffusion coefficients were found, which converge on the nanosecond timescale toward diffusion coefficients determined by dynamic light scattering. Mean-square displacements of localized internal motions and effective force constants, <k′>, describing the resilience of the proteins were determined on the respective timescales. Photoactivation significantly modifies the flexibility and the resilience of PpSB1-LOV. On the fast, picosecond timescale, small changes in the mean-square displacement and <k′> are observed, which are enhanced on the slower, nanosecond timescale. Photoactivation results in a slightly larger resilience of the photoreceptor on the fast, picosecond timescale, whereas in the nanosecond range, a significantly less resilient structure of the light-state protein is observed. For a residue-resolved interpretation of the experimental neutron-scattering data, we analyzed molecular dynamics simulations of the PpSB1-LOV X-ray structure. Based on these data, it is tempting to speculate that light-induced changes in the protein result in altered side-chain mobility mostly for residues on the protruding Jα helix and on the LOV-LOV dimer interface. Our results provide strong experimental evidence that side-chain dynamics play a crucial role in photoactivation and signaling of PpSB1-LOV via modulation of conformational entropy.
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000283547 7001_ $$0P:(DE-Juel1)141796$$aKnieps-Grünhagen, Esther$$b1$$ufzj
000283547 7001_ $$0P:(DE-HGF)0$$aBocola, Marco$$b2
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000283547 7001_ $$0P:(DE-Juel1)131056$$aZamponi, Michaela$$b4$$ufzj
000283547 7001_ $$0P:(DE-Juel1)131482$$aKrauss, Ulrich$$b5$$ufzj
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