view article
Figure 3
Crystal structure of MOPV NP-exo complexed with Mn2+ and soaked in the presence of ALD. (a) Ribbon representation of MOPV NP-exo complexed with Mn2+ (PDB entry 6sx8). Mn2+ is represented as a purple sphere and coordinated by three water molecules (red spheres). The protein structure color code follows that in Fig. 1[link]. Catalytic residues are labeled. Three of the residues coordinating the structural Zn2+ ion (gray sphere) are also shown, with their side chains in stick representation. (b) Enlargement of the Mn2+ ion in the active site of MOPV NP-exo complexed with Mn2+. The theoretical Mn2+ coordination by the catalytic residues and water molecules is illustrated by yellow arrows. (c, d, e) The same view as in (b) presenting a 2Fo − Fc map corresponding to the metal ion-binding site contoured at 1.3σ at different soaking times: (c) 6 min (PDB entry 6t6l), (d) 12 min (PDB entry 6t2a) and (e) overnight (PDB entry 6sy8).

IUCrJ
Volume 9| Part 4| July 2022| Pages 468-479
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522005061