ArticleProceedings of the National Academy of Sciences of the United States of America2016
Ultrafast anisotropic protein quake propagation after CO photodissociation in myoglobin.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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13 citing papers in PubMed, 58 citations in OpenAlex.
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- Ultrafast coherent motion and helix rearrangement of homodimeric hemoglobin visualized with femtosecond X-ray solution scattering.Nature communications · 2021Article
- Capturing photochemical and photophysical transformations in iron complexes with ultrafast X-ray spectroscopy and scattering.Chemical science · 2021Review
- Interplays of electron and nuclear motions along CO dissociation trajectory in myoglobin revealed by ultrafast X-rays and quantum dynamics calculations.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Short-lived metal-centered excited state initiates iron-methionine photodissociation in ferrous cytochrome c.Nature communications · 2021Article
- Role of atomic contacts in vibrational energy transfer in myoglobin.Biophysical reviews · 2020Review
- Ultrafast Structural Changes Decomposed from Serial Crystallographic Data.The journal of physical chemistry letters · 2019Article
- Temperature-jump solution X-ray scattering reveals distinct motions in a dynamic enzyme.Nature chemistry · 2019Article
- Topology, landscapes, and biomolecular energy transport.Nature communications · 2019Article
- Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin.Structural dynamics (Melville, N.Y.) · 2018Article
- Progress in small-angle scattering from biological solutions at high-brilliance synchrotrons.IUCrJ · 2017Review
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2 authors at 1 institution in 1 country.
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Abstract
"Protein quake" denotes the dissipation of excess energy across a protein, in response to a local perturbation such as the breaking of a chemical bond or the absorption of a photon. Femtosecond time-resolved small- and wide-angle X-ray scattering (TR-SWAXS) is capable of tracking such ultrafast protein dynamics. However, because the structural interpretation of the experiments is complicated, a molecular picture of protein quakes has remained elusive. In addition, new questions arose from recent TR-SWAXS data that were interpreted as underdamped oscillations of an entire protein, thus challenging the long-standing concept of overdamped global protein dynamics. Based on molecular-dynamics simulations, we present a detailed molecular movie of the protein quake after carbon monoxide (CO) photodissociation in myoglobin. The simulations suggest that the protein quake is characterized by a single pressure peak that propagates anisotropically within 500 fs across the protein and further into the solvent. By computing TR-SWAXS patterns from the simulations, we could interpret features in the reciprocal-space SWAXS signals as specific real-space dynamics, such as CO displacement and pressure wave propagation. Remarkably, we found that the small-angle data primarily detect modulations of the solvent density but not oscillations of the bare protein, thereby reconciling recent TR-SWAXS experiments with the notion of overdamped global protein dynamics.
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