1U06

crystal structure of chicken alpha-spectrin SH3 domain

Summary for 1U06

• Entry DOI: 10.2210/pdb1u06/pdb
• Descriptor: Spectrin alpha chain, brain, AZIDE ION (3 entities in total)
• Functional Keywords: sh3 domain, beta barrel, five antiparallel beta sheets, structural protein
• Biological source: Gallus gallus (chicken)
• Cellular location: Cytoplasm, cytoskeleton: P07751
• Total number of polymer chains: 1
• Total formula weight: 7355.30

Authors

Chevelkov, V.,Faelber, K.,Diehl, A.,Heinemann, U.,Oschkinat, H.,Reif, B. (deposition date: 2004-07-13, release date: 2005-01-13, Last modification date: 2023-10-25)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.49 Å)