1rjv

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Solution Structure of Human alpha-Parvalbumin refined with a paramagnetism-based strategy

Overview

In the frame of a research aimed at the detailed structural, characterization of human calcium-binding proteins of the EF-hand family, the solution structure of human alpha-parvalbumin has been solved by NMR, and refined with the help of substitution of the Ca(2+) ion in the EF site, with the paramagnetic Dy(3+) ion. A simple (1)H-(15)N HSQC spectrum, allowed the NH assignments based on the properties of Dy(3+). This allowed, us to exploit pseudocontact shifts and residual dipolar couplings for, solution structure refinement. The backbone and heavy atom RMSD are 0.55, +/- 0.08 and 1.02 +/- 0.08 A, respectively, and decrease to 0.39 +/- 0.05, and 0.90 +/- 0.06 A upon refinement with paramagnetism-based restraints., The RMSD for the metal itself in the EF site in the refined structure is, 0.26 +/- 0.12 A. Backbone NH R(1), R(2), and NOE measured at two, temperatures show the protein to be relatively rigid. The NH orientations, are well determined by the paramagnetism-based restraints. This allows us, to detect small but significant local structural differences with the, orthologue protein from rat, whose X-ray structure is available at 2.0 A, resolution. All differences are related to local changes in the amino, acidic composition.

About this Structure

1RJV is a Single protein structure of sequence from Homo sapiens with CA as ligand. Full crystallographic information is available from OCA.

Reference

Paramagnetism-based refinement strategy for the solution structure of human alpha-parvalbumin., Baig I, Bertini I, Del Bianco C, Gupta YK, Lee YM, Luchinat C, Quattrone A, Biochemistry. 2004 May 11;43(18):5562-73. PMID:15122922

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