Download MendeleyDirect Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography
Habash, J., Raftery, J., Nuttall, R., Price, H.J., Lehmann, M.S., Wilkinson, C., Kalb(Gilboa), A.J., Helliwell, J.R.(2000) Acta Crystallogr D Biol Crystallogr 56: 541
- PubMed: 10771422
- DOI: https://doi.org/10.1107/s0907444900002353
- Primary Citation of Related Structures:
1C57, 1QNY - PubMed Abstract:
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.
Organizational Affiliation:
Section of Structural Chemistry, Department of Chemistry, University of Manchester, Manchester M13 9PL, England.
