1U06

crystal structure of chicken alpha-spectrin SH3 domain

1U06 の概要

• エントリーDOI: 10.2210/pdb1u06/pdb
• 分子名称: Spectrin alpha chain, brain, AZIDE ION (3 entities in total)
• 機能のキーワード: sh3 domain, beta barrel, five antiparallel beta sheets, structural protein
• 由来する生物種: Gallus gallus (chicken)
• 細胞内の位置: Cytoplasm, cytoskeleton: P07751
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 7355.30

構造登録者

Chevelkov, V.,Faelber, K.,Diehl, A.,Heinemann, U.,Oschkinat, H.,Reif, B. (登録日: 2004-07-13, 公開日: 2005-01-13, 最終更新日: 2023-10-25)

主引用文献

Chevelkov, V.,Faelber, K.,Diehl, A.,Heinemann, U.,Oschkinat, H.,Reif, B.
Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of alpha-spectrin by MAS solid-state NMR.
J.Biomol.Nmr, 31:295-310, 2005

PubMed Abstract: Water molecules are a major determinant of protein stability and are important for understanding protein-protein interactions. We present two experiments which allow to measure first the effective T(2) decay rate of individual amide proton, and second the magnetization build-up rates for a selective transfer from H(2)O to H(N) using spin diffusion as a mixing element. The experiments are demonstrated for a uniformly (2)H, (15)N labeled sample of a microcrystalline SH3 domain in which exchangeable deuterons were back-substituted with protons. In order to evaluate the NMR experimental data, as X-ray structure of the protein was determined using the same crystallization protocol as for the solid-state NMR sample. The NMR experimental data are correlated with the dipolar couplings calculated from H(2)O-H(N) distances which were extracted from the X-ray structure of the protein. We find that the H(N) T(2) decay rates and H(2)O-H(N) build-up rates are sensitive to distance and dynamics of the detected water molecules with respect to the protein. We show that qualitative information about localization and dynamics of internal water molecules can be obtained in the solid-state by interpretation of the spin dynamics of a reporter amide proton.

PubMed: 15928996
DOI: 10.1007/s10858-005-1718-z

実験手法

X-RAY DIFFRACTION (1.49 Å)