Skip to main content
. Author manuscript; available in PMC: 2013 Aug 29.
Published in final edited form as: J Chem Inf Model. 2012 Jun 25;52(7):1886–1897. doi: 10.1021/ci300121p

Figure 2.

Figure 2

Active site of the anthrax toxin lethal factor (1YQY.pdb55), with MOLCAD electrostatic potential mapping (red = positive, purple = negative); catalytic Zn2+ (magenta sphere); zinc-binding residues His686, His690, and Glu735; and illustrating three binding subsites: S1’, S1–S2, and S2’,56 visualized in SYBYL 8.0., Tripos, Inc.