Dataset Information

Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures.

ABSTRACT: Structure-based models are coarse-grained representations of the interactions responsible for the protein folding process. In their simplest form, they use only the native contact map of a given protein to predict the main features of its folding process by computer simulation. Given their limitations, these models are frequently complemented with sequence-dependent contributions or additional information. Specifically, to analyze the effect of pressure on the folding/unfolding transition, special forms of these interaction potentials are employed, which may a priori determine the outcome of the simulations. In this work, we have tried to keep the original simplicity of structure-based models. Therefore, we have used folded structures that have been experimentally determined at different pressures to define native contact maps and thus interactions dependent on pressure. Despite the apparently tiny structural differences induced by pressure, our simulation results provide different thermodynamic and kinetic behaviors, which roughly correspond to experimental observations (when there is a possible comparison) of two proteins used as benchmarks, hen egg-white lysozyme and dihydrofolate reductase. Therefore, this work shows the feasibility of using experimental native structures at different pressures to analyze the global effects of this physical property on the protein folding process.

SUBMITTER: Fernandez Del Rio B

PROVIDER: S-EPMC8478274 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Similar Datasets

Project description:Hydropeaking is the rapid change in the water flow downstream of a hydropower plant, driven by changes in daily electricity demand. These fluctuations may produce negative effects in freshwater fish. To minimize these impacts, previous studies have proposed habitat enhancement structures as potential mitigation measures for salmonids. However, the recommendation of these mitigation measures for cyprinids remains scarce and their effects unknown. In this study, the effects of potential habitat mitigation structures under simulated hydropeaking and base-flow conditions are examined for Iberian barbel (Luciobarbus bocagei) in an indoor flume. Solid triangular pyramids and v-shaped structures were evaluated as potential flow-refuging areas and compared with a configuration without structures. A novel, interdisciplinary approach is applied to investigate individual and group responses to rapidly changing flows, by assessing physiological (glucose and lactate), movement behaviour (structure use, sprints and drifts) and the pressure distribution using a fish-inspired artificial lateral line flow sensor. The major findings of this study are four-fold: 1) Under hydropeaking conditions, the v-shaped structures triggered a lactate response and stimulated individual structure use, whereas solid structures did not elicit physiological adjustments and favoured individual and group structure use. Overall, both solid structures and their absence stimulated sprints and drifts. 2) The hydrodynamic conditions created in hydropeaking did not always reflect increased physiological responses or swimming activity. 3) Each event-structure combination resulted in unique hydrodynamic conditions which were reflected in the different fish responses. 4) The most relevant flow variable measured was the pressure asymmetry, which is caused by the vortex size and shedding frequency of the structures. Considering the non-uniform nature of hydropeaking events, and the observation that the fish responded differently to specific flow event-structure combinations, a diverse set of instream structures should be considered for habitat-based hydropeaking mitigation measures for Iberian barbel.

Dataset Information

Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets