Figure 2
Structural analysis of the high-resolution crystal structure of Mu8.1. (a) Mu8.1 (dark green) forms the previously identified homodimeric conformation with a symmetry-related molecule (pale green). Lys55 is shown in orange. (b) Superimposition of Mu8.1 (PDB entry 8amy, dark green cartoon) with PDB entry 7px2 (cyan cartoon; Hackney et al., 2023). (c) Surface electrostatics (red, negative; blue, positive) of Mu8.1 shown in the same orientation as in (b), (d) and (e). (d) A stereoview of the electron density for the four water molecules (red spheres) coordinated around Lys55. The electron-density map is contoured at the 1σ level. (e) The water network (yellow dashed lines) around Lys55 and the threonine residues involved in bifurcated hydrogen bonds (blue dashed lines). The side-chain OH groups and backbone NH groups of Thr35, Thr36, Thr39, Thr52 and Thr56 act as hydrogen-bond donors, while the backbone carbonyl groups of Tyr31, Ala32, Thr35, Arg48 and Thr52 act as acceptors. Water molecules are presented as red spheres and labeled w1–w4. N, O and S atoms are colored blue, red and yellow, respectively. |