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Figure 2.
Figure 2.
(a) Model-unbiased 6-fold averaged 2F
o
-
F
c
map of NMDBA bound to L. mexicana GAPDH at 2.6 A
Ê
con-
toured at 0.82s to within 2.0 A
Ê
of NMDBA atoms. The map was calculated after refining the six protein monomers
in the asymmetric unit and prior to modeling in the bound inhibitor (NMDBA, gold C atoms). In (a)-(d) residues in
green and violet are from adjacent monomers of the biological tetramer. (b) Model-unbiased sixfold averaged 2F
o
-
F
c
map of TNDBA bound to L. mexicana GAPDH at 3.0 A
Ê
, contoured at 0.82s to within 2.0 A
Ê
of TNDBA atoms.
(a) and (b) were made with Bobscript.
41
(c) Superposition of the six copies of the bound inhibitor NMDBA (gold C
atoms), in the crystal structure in complex with L. mexicana GAPDH. The 358 C
a
atoms of each monomer were used
in the superposition. (d) Superposition of the crystal structures of L. mexicana GAPDH in complex with NMDBA
(gold) and the structure in complex with TNDBA (grey). (c) and (d) Created with MOLSCRIPT
38
and Raster3D.
39,40
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