Neutron crystallography for the elucidation of enzyme catalysis.

Fumiaki Kono, Taro Tamada

Journal: Current opinion in structural biology 2021;71():36-42

PMID: 34214927

Full Text on Elsevier Science View on PubMed

Abstract

Hydrogen atoms and hydration water molecules in proteins are indispensable for many biochemical processes, especially enzymatic catalysis. The locations of hydrogen atoms in proteins are usually predicted based on X-ray structures, but it is still very difficult to know the ionization states of the catalytic residues, the hydration structure of the protein, and the characteristics of hydrogen-bonding interactions. Neutron crystallography allows the direct observation of hydrogen atoms that play crucial roles in molecular recognition and the catalytic reactions of enzymes. In this review, we present the current status of neutron crystallography in structural biology and recent neutron structural analyses of three enzymes: ascorbate peroxidase, the main protease of severe acute respiratory syndrome coronavirus 2, and copper-containing nitrite reductase.

Address: Institute for Quantum Life Science, National Institutes for Quantum and Radiological Science and Technology, 2-4 Shirakata, Tokai, Ibaraki 319-1106, Japan.; Institute for Quantum Life Science, National Institutes for Quantum and Radiological Science and Technology, 2-4 Shirakata, Tokai, Ibaraki 319-1106, Japan. Electronic address: [email protected].

DOI: 10.1016/j.sbi.2021.05.007

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MeSH Terms: COVID-19, Catalysis, Crystallography, Crystallography, X-Ray, Humans, Hydrogen Bonding, Models, Molecular, Neutrons, SARS-CoV-2