Supplementary Figure 4: hIntL-1 bound to allyl-β-d-Galf.
From: Recognition of microbial glycans by human intelectin-1
(a) Structure of the ligand-binding site in Apo-hIntL-1 (4WMQ). Calcium ions are shown in green, and ordered water molecules in red. Dashed lines highlight functional groups important for the heptavalent coordination of the ligand binding site calcium ion.
(b) Close-up view of the ligand-binding site of the β-Galf−hIntL-1 protein structure (4WMY). This image is the same as depicted in Fig. 3b, although surface mesh is depicted around the β-Galf ligand to highlight the ligand electron density. Mesh represents an difference density map (mFo-DFc, 3σ). Calcium ions are depicted in green and ordered waters are shown in red. The ligand O(5) and O(6) hydroxyl groups coordinate to the calcium ion and displace two ordered water molecules.
(c) Structural comparison of the crystallized allyl-β-d-Galf ligands. The molecule from Chain A is shown in wheat, while the molecule shown in Chain B is shown in grey. The furanosides were overlaid using the C(2)-C(3) bond and translated apart by 8 Å.
(d) Table summarizing Chain A and Chain B in the β-Galf−hIntL-1 protein structure (4WMY).
