Fig. 2: Fucose-binding site in the neutron structure of the D-LecB/Fuc-d12 complex.
From: Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding
a Two different orientations of the same fucose-binding site (chain B). Fucose is represented as dark gray sticks and protein as cyan sticks. The calcium ions are shown as purple spheres and deuterium atoms are shown as yellow sticks. The hydrogen bonds and metal coordination are shown as orange dashed lines and as solid purple lines, respectively. The distances are given in Å. The 2mFo-DFc neutron map (gray mesh) is contoured at 0.8σ. Amino acids involved in coordination of the calcium ions were omitted for clarity (Asn21, Asn103, Asp101, Asp104, Glu95). The first view (left) highlights the hydrogen-bonding network between fucose and the protein. The second view (right) shows the hydrophobic contact between methyl group of fucose and methyl and -CH2 groups of the Thr45 and Ser23 side chains, respectively. b The 2mFo-DFc neutron map (gray mesh) and 2mFo-DFc X-ray map (blue mesh), contoured at 1.4σ and 2.2σ, respectively.
