... 2)]-b-D-xylopyranosyl-(1 fi 4)-b-D-xylopyranosyl-(1 fi 4)-D-xylose; MeXyl3Xyl3,4-O-methyl-a-D-glucuronosyl-(1 fi 2)-b-D-xylopyranosyl-(1 fi 4)-b-D-xylopyranosyl-(1 fi 4)-D-xylose; MeXyl3Xyl4, ... covering the enzyme binding site and Xyl resi-dues of the xylan main chain. The final step could be the locking of the substrate, namely MeGlcA and axylosyl or xylobiosyl moiety, at subsites +1 and ... b-D-xylopyranosyl-(1 fi 4)-[4-O-methyl-a-D-glucuronosyl-(1 fi 2)]-b-D-xylopyranosyl-(1 fi 4)-b-D-xylopyranosyl-(1 fi 4)-D-xylose; VS, virtual screening; Xyl, xylose; XynA,Erwinia chrysanthemi...