Conservation and variation of the active channel
shape and electrostatic potential between P- and E-class CuZnSODs.
(a) Active-site channel cross-section for P-class
PhCuZnSOD and (b) E-class BSOD. Whereas the shape and
dimensions are conserved between the two classes (at left, PhCuZnSOD
Val-62 coincides with BSOD Thr-56 in the SS loop, and at right,
PhCuZnSOD Leu-138 coincides with BSOD Thr-135 in loop 7,8), the
structural location, conformation, and identity of the residues
producing the long-range electrostatic attraction of the substrate
anion are dramatically different, suggesting separate divergent
evolution followed by convergence. Electrostatic potential mapped onto
the molecular surface of the PhCuZnSOD dimer (c)
(oriented to match Fig. 1a) and the BSOD dimer
(d) (oriented to match Fig. 1b) and
colored as blue positive potential (>3kT/q) and red
negative potential (<−3kT/q). The network of charged
residues Lys-57, Asp-58, and Lys-60, in the extended PhCuZnSOD SS loop
(upper left) forms the positive potential for substrate attraction,
whereas Glu-131, Glu-132, and Lys-134 in the extended loop 7,8 (lower
right) provide the equivalent function in BSOD.