title: Protein side-chain dynamics observed by solution- and solid-state NMR: comparative analysis of methyl 2H relaxation data.
abstract: Rapid advances in solid-state MAS NMR made it possible to probe protein dynamics on a per-residue basis, similar to solution experiments. In this work we compare methyl 2H relaxation rates measured in the solid and liquid samples of alpha-spectrin SH3 domain. The solution data are treated using a model-free approach to separate the contributions from the overall molecular tumbling and fast internal motion. The latter part forms the basis for comparison with the solid-state data. Although the accuracy of solid-state measurements is limited by deuterium spin diffusion, the results suggest a significant similarity between methyl dynamics in the two samples. This is a potentially important observation, preparing the ground for combined analysis of the dynamics data by solid- and solution-state NMR.
authors.affiliation: Forschunginstitut für Molekulare Pharmakologie, Robert-Rössle-Str. 10, 13125 Berlin, Germany.
authors.forename: Bernd
authors.initials: B
authors.lastname: Reif
authors.forename: Yi
authors.initials: Y
authors.lastname: Xue
authors.forename: Vipin
authors.initials: V
authors.lastname: Agarwal
authors.forename: Maria S
authors.initials: MS
authors.lastname: Pavlova
authors.forename: Maggy
authors.initials: M
authors.lastname: Hologne
authors.forename: Anne
authors.initials: A
authors.lastname: Diehl
authors.forename: Yaroslav E
authors.initials: YE
authors.lastname: Ryabov
authors.forename: Nikolai R
authors.initials: NR
authors.lastname: Skrynnikov
mesh_terms: D000818:Animals; D002645:Chickens; D004926:Escherichia coli / Q000235:genetics / Q000378:metabolism; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011994:Recombinant Proteins / Q000096:biosynthesis / Q000737:chemistry / Q000235:genetics; D012996:Solutions; D013049:Spectrin / Q000096:biosynthesis / Q000737:chemistry* / Q000235:genetics
chemical_list: D011994:Recombinant Proteins; D012996:Solutions; D013049:Spectrin