1C57

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

Summary for 1C57

• Entry DOI: 10.2210/pdb1c57/pdb
• Descriptor: Concanavalin-Br, MANGANESE (II) ION, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: concanavalin a, neutron laue diffraction, bound d2o molecules, sugar binding protein
• Biological source: Canavalia ensiformis (jack bean)
• Total number of polymer chains: 1
• Total formula weight: 25717.40

Authors

Habash, J.,Raftery, J.,Nuttall, R.,Price, H.J.,Lehmann, M.S.,Wilkinson, C.,Kalb, A.J.,Helliwell, J.R. (deposition date: 1999-10-26, release date: 2000-05-08, Last modification date: 2023-12-27)

Primary citation

Habash, J.,Raftery, J.,Nuttall, R.,Price, H.J.,Wilkinson, C.,Kalb, A.J.,Helliwell, J.R.
Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography.
Acta Crystallogr.,Sect.D, 56:541-550, 2000

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.

PubMed: 10771422
DOI: 10.1107/S0907444900002353

Experimental method

NEUTRON DIFFRACTION (2.4 Å)