Synchrotron X-ray footprinting as a method to visualize water in proteins

Gupta, Sayan; Feng, Jun; Chan, Leanne Jade G.; Petzold, Christopher J.; Ralston, Corie Y.

doi:10.1107/S1600577516009024

Title: Synchrotron X-ray footprinting as a method to visualize water in proteins

Journal Article · Wed Jul 27 00:00:00 EDT 2016 · Journal of Synchrotron Radiation (Online)

DOI:https://doi.org/10.1107/S1600577516009024· OSTI ID:1379221

Gupta, Sayan ^[1]; Feng, Jun ^[1]; Chan, Leanne Jade G. ^[1]; Petzold, Christopher J. ^[1]; Ralston, Corie Y. ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

The vast majority of biomolecular processes are controlled or facilitated by water interactions. In enzymes, regulatory proteins, membrane-bound receptors and ion-channels, water bound to functionally important residues creates hydrogen-bonding networks that underlie the mechanism of action of the macromolecule. High-resolution X-ray structures are often difficult to obtain with many of these classes of proteins because sample conditions, such as the necessity of detergents, often impede crystallization. Other biophysical techniques such as neutron scattering, nuclear magnetic resonance and Fourier transform infrared spectroscopy are useful for studying internal water, though each has its own advantages and drawbacks, and often a hybrid approach is required to address important biological problems associated with protein–water interactions. One major area requiring more investigation is the study of bound water molecules which reside in cavities and channels and which are often involved in both the structural and functional aspects of receptor, transporter and ion channel proteins. Recently, significant progress has been made in synchrotron-based radiolytic labeling and mass spectroscopy techniques for both the identification of bound waters and for characterizing the role of water in protein conformational changes at a high degree of spatial and temporal resolution. Finally, here the latest developments and future capabilities of this method for investigating water–protein interactions and its synergy with other synchrotron-based methods are discussed.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Biological and Environmental Research (BER); National Inst. of Health (NIH) (United States)

DOE Contract Number:: AC02-05CH11231; AC02-98CH10886; P30-EB0966

OSTI ID:: 1379221

Journal Information:: Journal of Synchrotron Radiation (Online), Vol. 23, Issue 5; ISSN 1600-5775

Publisher:: International Union of Crystallography

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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bound water
hydroxyl radical labeling
mass spectrometry
protein conformation
protein modification

Title: Synchrotron X-ray footprinting as a method to visualize water in proteins

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