ArticleJournal of the American Chemical Society2015
Direct NMR detection of bifurcated hydrogen bonding in the α-helix N-caps of ankyrin repeat proteins.
Article in Journal of the American Chemical Society, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 24 citations in OpenAlex.
- Direct evidence for a deprotonated lysine serving as a H-bond "acceptor" in a photoreceptor protein.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Multiprotein Assemblies, Phosphorylation and Dephosphorylation in Neuronal Cytoskeleton.bioRxiv : the preprint server for biology · 2023Article
- Crystal Structure Survey and Theoretical Analysis of Bifurcated Halogen Bonds.Crystal growth & design · 2022Article
- Destabilization of polar interactions in the prion protein triggers misfolding and oligomerization.Protein science : a publication of the Protein Society · 2021Article
- Analysis of Tandem Repeat Protein Folding Using Nearest-Neighbor Models.Annual review of biophysics · 2021Review
- Comparison of Bifurcated Halogen with Hydrogen Bonds.Molecules (Basel, Switzerland) · 2021Article
- A collection of programs for one-dimensional Ising analysis of linear repeat proteins with point substitutions.Protein science : a publication of the Protein Society · 2021Article
- A Second Backbone: The Contribution of a Buried Asparagine Ladder to the Global and Local Stability of a Leucine-Rich Repeat Protein.Biochemistry · 2019Article
- Unconventional N-H…N Hydrogen Bonds Involving Proline Backbone Nitrogen in Protein Structures.Biophysical journal · 2016Article
- Helix-Capping Histidines: Diversity of N-H···N Hydrogen Bond Strength Revealed by (2h)JNN Scalar Couplings.Biochemistry · 2015Article
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7 authors at 1 institution in 1 country.
Funding
Abstract
In biomolecules, bifurcated H-bonds typically involve the interaction of two donor protons with the two lone pairs of oxygen. Here, we present direct NMR evidence for a bifurcated H-bonding arrangement involving nitrogen as the acceptor atom. Specifically, the H-bond network comprises the Nδ1 atom of histidine and both the backbone N-H and side-chain Oγ-H of threonine within the conserved TXXH motif of ankyrin repeat (AR) proteins. Identification of the H-bonding partners is achieved via solution NMR H-bond scalar coupling (HBC) and H/D isotope shift experiments. Quantitative determination of (2h)J(NN) HBCs supports that Thr N-H···Nδ1 His H-bonds within internal repeats are stronger (∼4 Hz) than in the solvent exposed C-terminal AR (∼2 Hz). In agreement, pKa values for the buried histidines bridging internal ARs are several units lower than those of the C-terminus. Quantum chemical calculations show that the relevant (2h)J and (1h)J couplings are dominated by the Fermi contact interaction. Finally, a Thr-to-Val replacement, which eliminates the Thr Oγ-H···Nδ1 His H-bond and decreases protein stability, results in a 25% increase in (2h)J(NN), attributed to optimization of the Val N-H···Nδ1 His H-bond. Overall, the results provide new insights into the H-bonding properties of histidine, a refined structural rationalization for the folding cooperativity of AR proteins, and a challenging benchmark for the calculation of HBCs.
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