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Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode

https://doi.org/10.1038/s41467-022-29595-9

Kraus, Jodi ; Russell, Ryan W. ; Kudryashova, Elena ; Xu, Chaoyi ; Katyal, Nidhi ; Perilla, Juan R. ; Kudryashov, Dmitri S. ; Polenova, Tatyana ( April 2022 , Nature Communications)

Abstract
Actin polymerization dynamics regulated by actin-binding proteins are essential for various cellular functions. The cofilin family of proteins are potent regulators of actin severing and filament disassembly. The structural basis for cofilin-isoform-specific severing activity is poorly understood as their high-resolution structures in complex with filamentous actin (F-actin) are lacking. Here, we present the atomic-resolution structure of the muscle-tissue-specific isoform, cofilin-2 (CFL2), assembled on ADP-F-actin, determined by magic-angle-spinning (MAS) NMR spectroscopy and data-guided molecular dynamics (MD) simulations. We observe an isoform-specific conformation for CFL2. This conformation is the result of a unique network of hydrogen bonding interactions within the α2 helix containing the non-conserved residue, Q26. Our results indicate F-site interactions that are specific between CFL2 and ADP-F-actin, revealing mechanistic insights into isoform-dependent F-actin disassembly.

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Measurement of Accurate Interfluorine Distances in Crystalline Organic Solids: A High-Frequency Magic Angle Spinning NMR Approach

https://doi.org/10.1021/acs.jpcb.9b08919

Fritz, Matthew ; Kraus, Jodi ; Quinn, Caitlin M. ; Yap, Glenn P. ; Struppe, Jochem ; Sergeyev, Ivan V. ; Gronenborn, Angela M. ; Polenova, Tatyana ( November 2019 , The Journal of Physical Chemistry B)

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19 F Magic Angle Spinning NMR Spectroscopy and Density Functional Theory Calculations of Fluorosubstituted Tryptophans: Integrating Experiment and Theory for Accurate Determination of Chemical Shift Tensors

https://doi.org/10.1021/acs.jpcb.8b00377

Lu, Manman ; Sarkar, Sucharita ; Wang, Mingzhang ; Kraus, Jodi ; Fritz, Matthew ; Quinn, Caitlin M. ; Bai, Shi ; Holmes, Sean T. ; Dybowski, Cecil ; Yap, Glenn P. ; et al ( May 2018 , The Journal of Physical Chemistry B)

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