[NMR paper] OCRE Domains of Splicing Factors RBM5 and RBM10: Tyrosine Ring Flip Frequencies by Integrated Use of 1H-NMR and Molecular Dynamics Simulations.

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OCRE Domains of Splicing Factors RBM5 and RBM10: Tyrosine Ring Flip Frequencies by Integrated Use of 1H-NMR and Molecular Dynamics Simulations.

Related Articles OCRE Domains of Splicing Factors RBM5 and RBM10: Tyrosine Ring Flip Frequencies by Integrated Use of 1H-NMR and Molecular Dynamics Simulations.

Chembiochem. 2020 Sep 25;:

Authors: Martin BT, Malmstrom RD, Amaro RE, Wüthrich K

Abstract
* *The 55-residue OCRE domains of the splicing factors RBM5 and RBM10 contain 15 tyrosines in compact, globular folds. At 25?C all 15 tyrosines show symmetric 1 H-NMR spectra, with averaged signals for the pairs of ?- and ?-ring hydrogens.* At 4?C two tyrosines were identified as showing 1 H-NMR line-broadening due to lowered frequency of the ring-flipping.* For the other 13 tyrosine rings it was thus left open, from the 1 H-NMR data alone, whether they were either all flipping at high frequencies, or whether slowed flipping went undetected due to small chemical shift differences between pairs of exchanging ring hydrogen atoms.* Here, we integrate 1 H-NMR spectroscopy and molecular dynamics (MD) simulations to determine the tyrosine ring-flip frequencies. In the RBM10- OCRE domain we thus found for 11 of the 15 tyrosines that these frequencies are in the range from 2.0?10 6** to 1.3?10 8 s -1 , and we established an upper limit of < 1.0?10 6 s -1 for the remaining four residues. The experimental data and the MD simulation are mutually supportive, and their combined use extends the analysis of aromatic ring-flip events beyond the limitations of routine 1 H-NMR line shape analysis into the nanosecond frequency range.


PMID: 32975902 [PubMed - as supplied by publisher]



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