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Figure 3
Crystal structure of the ligand-free Y137A FimH mutant. Electron density is displayed in white or light rose contourings at 1.5σ (2FoDFc) for residues of the molecule in the asymmetric unit (green) and for the neighbouring FimH (yellow), respectively. (a) Proximity of the mannose-binding Asp54 at the bottom of the pocket (shown as a green ball-and-stick model) to the EDTA-binding cavity. Ile52 is shown as a magenta ball-and-stick model. Ile52 couples the two sites displayed in more detail in (b) and (c). (b) The EDTA-binding cavity of ligand-free Y137A FimH, with hydrogen bonds from EDTA to Asn136, Thr53 and Glu50 shown as blue ball-and-stick models. (c) The mannose-binding pocket showing the strong hydrogen bond of Asp54 to the FimH lectin-domain C-­terminal carboxylate of Thr158 in the symmetry-related FimH molecule 1.

ISSN: 2052-2525