Role of water in the formation of macromolecular structures

Abstract

This review shows that water in biological systems is not just a passive liquid solvent but also a partner in the formation of the structure of proteins, nucleic acids and their complexes, thereby contributing to the stability and flexibility required for their proper function. Reciprocally, biological macromolecules affect the state of the water contacting them, so that it is only partly in the normal liquid state, being somewhat ordered when bound to macromolecules. While the compaction of globular proteins results from the reluctance of their hydrophobic groups to interact with water, the collagen superhelix is maintained by water forming a hydroxyproline-controlled frame around this coiled-coil macromolecule. As for DNA, its stability and rigidity are linked to water fixed by AT pairs in the minor groove: this leads to the enthalpic contribution of AT pairs exceeding that of GC pairs, but this is overbalanced by their greater entropy contribution, with the result that AT pairs melt at lower temperatures than GCs. Loss of this water drives transcription factor binding to the minor groove.

Water–Tryptophan Interactions: Lone‐pair⋅⋅⋅π or O−H⋅⋅⋅π? Molecular Dynamics Simulations of β‐Galactosidase Suggest that Both Modes Can Co‐exist

“…Protein hydration is an important factor determining the structure, folding, and activity of proteins . We report here the existence of a water‐filled cavity occurring in the structure of β‐galactosidase from E. coli .…”

Effect of the Application of a Dehydrothermal Treatment on the Structure and the Mechanical Properties of Collagen Film

“…Water contained in the collagen film, including free-and hydrogen-bonded water, was mostly removed upon heating under vacuum in the DHT treatment. The water that remains in the collagen film plays an important role in maintaining the stability of the collagen triple helix structure by forming hydrogen bonded crosslinking [26]. Ravikumar et al elucidated that the loss of water bridges is responsible for the unwinding of the collagen molecules by using molecular dynamics simulations, which further affects the collagen self-assembly [27].…”

Let there be water: How hydration/dehydration reactions accompany key Earth and life processes#

“…Our current understanding of the limits of terrestrial life suggests water is one of the main requirements for the existence and survival of life on our planet and beyond (Stevenson et al, 2015;Merino et al, 2019). The molecular properties of water make it a powerful solvent, capable of interacting with a large number of macromolecules and as a stabilizing molecule in many of biology reactions (Franks, 2007;Privalov and Crane-Robinson, 2017) water cycle is critical in maintaining our planet habitability, and in redistributing nutrients and volatiles across the surface of the planet, both in the atmosphere and the oceans (Jelen et al, 2016). Additionally, the hydration of minerals directly influences the availability of substrates used by biology in metabolic reactions.…”

“…and macromolecular structures(Privalov and Crane- Robinson, 2017). Additionally, water molecules also actively participate in several biological reactions either as a reactant or as a product.…”