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Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.

ABSTRACT: Protein function hinges on small shifts of three-dimensional structure. Elevating temperature or pressure may provide experimentally accessible insights into such shifts, but the effects of these distinct perturbations on protein structures have not been compared in atomic detail. To quantitatively explore these two axes, we report the first pair of structures at physiological temperature vs. high pressure for the same protein, STEP (PTPN5). We show that these perturbations have distinct and surprising effects on protein volume, patterns of ordered solvent, and local backbone and side-chain conformations. This includes novel interactions between key catalytic loops only at physiological temperature, and a distinct conformational ensemble for another active-site loop only at high pressure. Strikingly, in torsional space, physiological temperature shifts STEP toward previously reported active-like states, while high pressure shifts it toward a previously uncharted region. Together, our work argues that temperature and pressure are complementary, powerful, fundamental macromolecular perturbations.

SUBMITTER: Guerrero L

PROVIDER: S-EPMC10187168 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature

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Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.

Guerrero Liliana L Ebrahim Ali A Riley Blake T BT Kim Minyoung M Huang Qingqiu Q Finke Aaron D AD Keedy Daniel A DA

bioRxiv : the preprint server for biology 20230503

Protein function hinges on small shifts of three-dimensional structure. Elevating temperature or pressure may provide experimentally accessible insights into such shifts, but the effects of these distinct perturbations on protein structures have not been compared in atomic detail. To quantitatively explore these two axes, we report the first pair of structures at physiological temperature vs. high pressure for the same protein, STEP (PTPN5). We show that these perturbations have distinct and sur ...[more]

PMID: 37205580

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Project description:Global warming in the 21st century will alter the frequency of extreme climatic events, such as high-temperature anomalies and "heat waves". Observations of extreme high temperatures during recent decades have detected upward trends in their frequency of occurrence, and recent state-of-the-art Global Climate Models (GCMs), e.g., Climate Model Intercomparison Projects (CMIPs), notably CMIP5 and CMIP6, have predicted acceleration of temperature trends and high-temperature events by 2100 under projected greenhouse-gas emission scenarios. Hence, the 21st century is expected to experience substantial shifts in the occurrence of extreme events, where present-day, extreme-but-rare high-temperature events will become common during the summer months. The increasing frequency of extreme heat may affect the health and resiliency of social, biological, and infrastructure systems in many regions worldwide, underscoring the need for accurate and reliable long-term assessments of climatic change across global and regional scales. So far, many investigations of high-temperature extremes have been carried out under end-point scenarios, e.g., by comparing GCM-projected changes in the frequency of high-temperature extremes expected in the late 21st century to the late 20th century. In this study, we use extreme value theory and decades of observations of high-temperature extremes at thousands of meteorological stations across North America to investigate continuous shifts in the frequency of extreme high-temperature events due to projected local warming trends. We find that the odds of exceedance of 50-year extreme high-temperature events increases exponentially with increases in mean local temperature. At a majority of the stations studied here, a local mean temperature increase of 0.5-1 [Formula: see text]C can double the odds of exceedance of 50-year extreme high-temperature events. Based on time-dependent temperature projections, the odds of exceedance of 50-year extreme high-temperature events doubles approximately every 20 years (or sooner) for [Formula: see text] 96% of the stations. Moreover, we find that, for [Formula: see text] 80% of the stations in North America, investigated here, the 50-year extreme high-temperature events will be exceeded annually before 2100.

Dataset Information

Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.

Publications

Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.

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