ArticleScience advances2015
"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Article in Science advances, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
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47 citing papers in PubMed, 104 citations in OpenAlex.
- Towards routine accurate electron-density studies of biological macromolecules.Acta crystallographica. Section D, Structural biology · 2026Article
- Catalyzing Carbohydrate Cleavage: Glycosidases and Their Mechanisms.Chemical reviews · 2026Review
- A single-domain expansin-like protein fromProceedings of the National Academy of Sciences of the United States of America · 2026Article
- Neutron crystallography of the covalent intermediate of β-glucosidase reveals remodeling of the catalytic center.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].Living journal of computational molecular science · 2025Article
- SFCalculator: connecting deep generative models and crystallography.bioRxiv : the preprint server for biology · 2025Article
- Reactivity Inside Molecular Flasks: Acceleration Modes and Types of Selectivity Obtainable.Angewandte Chemie (International ed. in English) · 2024Review
- Article
- The first crystal structure of a family 45 glycoside hydrolase from a brown-rot fungus, Gloeophyllum trabeum GtCel45A.FEBS open bio · 2024Article
- Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.Nature communications · 2023Article
- Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.Nucleic acids research · 2023Article
- Mimicry of the proton wire mechanism of enzymes inside a supramolecular capsule enables β-selective O-glycosylations.Nature chemistry · 2022Article
- True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.Nature structural & molecular biology · 2022Article
- Expression and characterization of a family 45 glycosyl hydrolase from Fomitopsis pinicola and comparison to Phanerochaete chrysosporium Cel45A.Enzyme and microbial technology · 2022Article
- Enzymatic synthesis of cellulose in space: gravity is a crucial factor for building cellulose II gel structure.Cellulose (London, England) · 2022Article
- GH47 and Other Glycoside Hydrolases Catalyze Glycosidic Bond Cleavage with the Assistance of Substrate Super-arming at the Transition State.ACS catalysis · 2021Article
- Asparagine Tautomerization in Glycosyltransferase Catalysis. The Molecular Mechanism of ProteinACS catalysis · 2021Article
- QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase.Journal of chemical information and modeling · 2021Article
- Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase.Nature communications · 2021Article
- A Swollenin FromFrontiers in microbiology · 2021Article
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Authors and funding
14 authors at 7 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Hydrolysis of carbohydrates is a major bioreaction in nature, catalyzed by glycoside hydrolases (GHs). We used neutron diffraction and high-resolution x-ray diffraction analyses to investigate the hydrogen bond network in inverting cellulase PcCel45A, which is an endoglucanase belonging to subfamily C of GH family 45, isolated from the basidiomycete Phanerochaete chrysosporium. Examination of the enzyme and enzyme-ligand structures indicates a key role of multiple tautomerizations of asparagine residues and peptide bonds, which are finally connected to the other catalytic residue via typical side-chain hydrogen bonds, in forming the "Newton's cradle"-like proton relay pathway of the catalytic cycle. Amide-imidic acid tautomerization of asparagine has not been taken into account in recent molecular dynamics simulations of not only cellulases but also general enzyme catalysis, and it may be necessary to reconsider our interpretation of many enzymatic reactions.
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