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Evolutionary drivers of protein shape.

Gareth Shannon1, Callum R Marples2, Rudesh D Toofanny3

  • 1NASA Ames Research Center, Moffett Field, CA, 94043, USA.

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Summary
This summary is machine-generated.

Protein shape influences cellular function by affecting diffusion and interactions. A specific ellipsoidal shape, near the Golden ratio, optimizes protein diffusion and minimizes aggregation, enhancing cellular function and mutation tolerance.

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Area of Science:

  • Biophysics
  • Cell Biology
  • Evolutionary Biology

Background:

  • Protein diffusion is vital for cellular function and interactions.
  • The interplay between protein shape, diffusion dynamics, and evolutionary selection is not well understood.

Purpose of the Study:

  • To investigate how protein shape influences diffusion, interactions, and evolutionary mechanisms.
  • To identify optimal protein shapes for cellular environments.

Main Methods:

  • Simulated triaxial ellipsoids with protein-equivalent steric volumes.
  • Employed Brownian molecular dynamics and geometric packing simulations.
  • Analyzed dynamics at various aspect ratios and volume fractions.

Main Results:

  • Proteins with a shape approximating the Golden ratio exhibit the highest critical volume fraction before gelation.
  • This optimal shape correlates with the fastest long-time self-diffusion within the cell.
  • Ellipsoidal shape directs collisions away from aggregation-prone sites to non-sticky regions, enhancing functional stability.

Conclusions:

  • Protein shape is a key factor in optimizing diffusion and minimizing aggregation in crowded cellular environments.
  • The identified optimal protein shape provides increased tolerance to mutations, supporting evolutionary adaptability.