1c57

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1c57, resolution 2.4Å

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DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY

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

1C57 is a Single protein structure of sequence from Canavalia ensiformis with and 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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