1qny

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1qny, resolution 1.8Å

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X-RAY REFINEMENT OF D2O SOAKED CRYSTAL OF CONCANAVALIN A

Overview

The correct positions of the deuterium (D) atoms of many of the bound, waters in the protein concanavalin A are revealed by neutron Laue, diffraction. The approach includes cases where these water D atoms show, enough mobility to render them invisible even to ultra-high resolution, synchrotron-radiation X-ray crystallography. The positions of the bound, water H atoms calculated on the basis of chemical and energetic, considerations are often incorrect. The D-atom positions for the water, molecules in the Mn-, Ca- and sugar-binding sites of concanavalin A are, described in detail.

About this Structure

1QNY is a [Single protein] structure of sequence from [Canavalia ensiformis] with MN and CA as [ligands]. Full crystallographic information is available from [OCA].

Reference

Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography., Habash J, Raftery J, Nuttall R, Price HJ, Wilkinson C, Kalb AJ, Helliwell JR, Acta Crystallogr D Biol Crystallogr. 2000 May;56(Pt 5):541-50. PMID:10771422

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