Figure 3
Crystal structure of Mef1. (a) The monomeric crystal structure of Mef1 (PDB entry 8bpd), illustrated as a cartoon, showing Ca2+-binding sites (Ca1 and Ca2) as well as the active site in cyan stick representation and with amino acids indicated with numbered single-letter codes (the active-site H270 is indicated in blue and the active-site aspartate D187 in red, while the −1 subsite amino acids are depicted in purple); the active-site β-barrel is indicated in purple, α-helices in green, random coils in gray and Ca2+ ions as orange spheres. (b) Superimposition of the crystal structures of the Mef1 and P5AFcnA enzymes. Deviations between the two crystal structures are shown in cartoon representation, with the secondary structure in P5AFcnA presented in red (#1–#5). The Ca2+ sites are highlighted in (c) for Ca1 and (d) for Ca2, where the Ca2+-coordinating amino acids are indicated as sticks with numbered single-letter codes. (e) Magnification of the active site, highlighting the amino acids lining the β-barrel region of Mef1 (purple) in (a). (f) Surface-charge representation of the Mef1 crystal structure (blue, positively charged amino acids; red, negatively charged amino acids; Ca2 is indicated as a purple ball, with two coordinating O atoms as red balls). (g) Mef1 crystal structure including the modeled CAPSO and EG molecules and the water wire (red spheres). (h) Magnification of the active site of Mef1 in (g), showing the CAPSO and EG molecules as well as the water wire (red spheres). |