Fig. 3: Ca2+-mediated HG cross-linking.
From: Understanding pectin cross-linking in plant cell walls
A representative snapshot of an unbiased MD simulation of (8) HG chains, 40-unit each, taken after ~20 ns. Carbon, oxygen and hydrogen atoms within the three chains involved in the cross-linking are depicted in cyan, red and white, respectively. The Ca2+ ions involved in the cross-linking are depicted in orange. Note the emergence of the “zipper” mechanism (see text and Fig. 1).
