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000276224 1001_ $$0P:(DE-HGF)0$$aOhlin, Mats$$b0
000276224 245__ $$aCrystallization, neutron data collection, initial structure refinement and analysis of a xyloglucan heptamer bound to an engineered carbohydrate-binding module from xylanase
000276224 260__ $$aOxford [u.a.]$$bBlackwell$$c2015
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000276224 520__ $$aCarbohydrate-binding modules (CBMs) are discrete parts of carbohydrate-hydrolyzing enzymes that bind specific types of carbohydrates. Ultra high-resolution X-ray crystallographic studies of CBMs have helped to decipher the basis for specificity in carbohydrate-protein interactions. However, additional studies are needed to better understand which structural determinants confer which carbohydrate-binding properties. To address these issues, neutron crystallographic studies were initiated on one experimentally engineered CBM derived from a xylanase, X-2 L110F, a protein that is able to bind several different plant carbohydrates such as xylan, [beta]-glucan and xyloglucan. This protein evolved from a CBM present in xylanase Xyn10A of Rhodothermus marinus. The protein was complexed with a branched xyloglucan hepta­saccharide. Large single crystals of hydrogenous protein (~1.6 mm3) were grown at room temperature and subjected to H/D exchange. Both neutron and X-ray diffraction data sets were collected to 1.6 Å resolution. Joint neutron and X-ray refinement using phenix.refine showed significant density for residues involved in carbohydrate binding and revealed the details of a hydrogen-bonded water network around the binding site. This is the first report of a neutron structure of a CBM and will add to the understanding of protein-carbohydrate binding interactions.
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000276224 7001_ $$0P:(DE-HGF)0$$avon Schantz, Laura$$b1
000276224 7001_ $$0P:(DE-Juel1)138266$$aSchrader, Tobias E.$$b2$$ufzj
000276224 7001_ $$0P:(DE-HGF)0$$aOstermann, Andreas$$b3
000276224 7001_ $$0P:(DE-HGF)0$$aLogan, Derek T.$$b4
000276224 7001_ $$0P:(DE-HGF)0$$aFisher, S. Zoë$$b5$$eCorresponding author
000276224 773__ $$0PERI:(DE-600)2175956-X$$a10.1107/S2053230X15011383$$gVol. 71, no. 8, p. 1072 - 1077$$n8$$p1072 - 1077$$tActa crystallographica / F$$v71$$x2053-230X$$y2015
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