Fig. 4: Mechanistic details of the proposed synergistic interactions involving hydrogen bonds and metal coordination.
From: Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding
a A low-barrier hydrogen bond in chain A (left) and D (right) located from the omit difference mFo-DFc neutron map (red mesh) in the vicinity of O3 of fucose. b Two six-membered rings (illustrated by atoms in sphere representation) formed by proposed synergistic interactions between fucose, calcium, and LecB. Hydrogen bonds are shown as orange dashed lines and metal coordination as solid purple lines. Deuterium atoms are shown as yellow spheres and yellow sticks. The 2mFo-DFc neutron map (green mesh) is contoured at 1σ. The 2mFo-DFc X-ray map (blue mesh) is contoured at 1.2σ.
