Year: 2022

"WATER molecules in protein solutions may be broadly classified into three categories: strongly bound, internal water molecules that occupy internal cavities and deep clefts; water molecules that interact with the protein surface; and bulk water." https://lnkd.in/eci_cba View in LinkedIn

WATER IS KEY. "It is difficult to conceive of a biological process that is independent of solvation." https://lnkd.in/eXJBuBT View in LinkedIn

TETRAHEDERAL WATER. "The excellent agreement between our newly remeasured Raman spectra and our model system further supports the locally tetrahedral description of liquid water, which has recently been called into question." https://lnkd.in/eH3825a View in LinkedIn

"PROTEIN HYDRATION is very important for the three-dimensional structure, dynamic ensemble of conformations, and activity. Indeed, proteins lack biological activity in the absence of sufficient hydrating water." https://lnkd.in/ev7vxpB View in LinkedIn

MYOGLOBIN, a model blood protein, is fully hydrated by just 350 water molecules. These water molecules form clusters to hydrate all the charged groups of the protein, in some cases up to two layers of water molecules, while a third of the protein is uncovered. https://lnkd.in/eC-SNUm View in LinkedIn

HYDRATION SHELLS. "The hydration layer around a protein has been found to have dynamics distinct from the bulk water to a distance of 1 nm with effects on the surrounding water network extending beyond 2 nm." https://lnkd.in/eWYCKHY View in LinkedIn

HIGHLY DYNAMIC EXCHANGE. "The duration of contact of a specific water molecule with the protein surface may be in the subnanosecond range while molecular dynamics simulations suggest the time water spends in the hydration shell before mixing with the outside bulk water could be in the femtosecond to picosecond range." https://lnkd.in/eWYCKHY View in LinkedIn

POLAR ORDERING. "Using X-ray analysis, the hydration shell shows a wide range of non-random hydrogen-bonding environments and energies...water is most well-ordered around the polar groups...than around non-polar groups." https://lnkd.in/ev7vxpB View in LinkedIn

NOT A BYSTANDER. "Rather than being a mere bystander, hydration ​water actively partakes in macromolecular activity such as protein–protein and protein–DNA recognition, protein allostery, electron and proton transfer, and enzyme reactions. The first hydration layer on the protein surface is of particular importance for biological activity that is lost in most completely dry proteins." https://lnkd.in/etJtRxP View in LinkedIn

ACTIVE SITES. "Water molecules are arranged/arrange themselves forming a gradient in water dynamics around active sites such that they facilitate the reactions, via active sites' "hydration funnel"." https://lnkd.in/ev7vxpB View in LinkedIn