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. 2017 Jan 1;4(Pt 1):7–23. doi: 10.1107/S2052252516016675

Figure 3.

Figure 3

Crystal structure of the ligand-free Y137A FimH mutant. Electron density is displayed in white or light rose contourings at 1.5σ (2F o − DF c) 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.