Figure 3.
Figure 3 (A) Stereoviews of the F[o]-F[c] omit map of the
ternary complex at 2.6 Å resolution, in the vicinity of Ca1
contoured at 2 .
All the atoms corresponding to residues Asn189, Arg216, Arg249,
Thr251 and also to the ion Ca1 and to the DCPS ligand were
omitted for the map calculation according to the CNS protocols.
The molecular fragments modeled into the corresponding density
are also shown. The DCPS ligand is represented with the
conformation corresponding to the sn-2 model (see the text). (B)
Stereoviews, in the same orientation as in (A), of the F[o]-F[c]
omit map (blue) of the ternary complex calculated omitting only
the DCPS ligand. The residual F[o]-F[c] map calculated from the
final refined model is also shown superimposed together with the
DCPS model. Only some positive density (red) could be seen close
to the position corresponding to the phosphoryl moiety. All the
map contouring shown was carried out 2.5 .
(C) The superimposition of the two alternative DCPS
conformations (sn-1 in purple and sn-2 in green) emphasizes the
similar atomic disposition.
The above figure is reprinted
from an Open Access publication published by Macmillan Publishers Ltd:
EMBO J
(1999,
18,
6329-6338)
copyright 1999.
.
All the atoms corresponding to residues Asn189, Arg216, Arg249,
Thr251 and also to the ion Ca1 and to the DCPS ligand were
omitted for the map calculation according to the CNS protocols.
The molecular fragments modeled into the corresponding density
are also shown. The DCPS ligand is represented with the
conformation corresponding to the sn-2 model (see the text). (B)
Stereoviews, in the same orientation as in (A), of the F[o]-F[c]
omit map (blue) of the ternary complex calculated omitting only
the DCPS ligand. The residual F[o]-F[c] map calculated from the
final refined model is also shown superimposed together with the
DCPS model. Only some positive density (red) could be seen close
to the position corresponding to the phosphoryl moiety. All the
map contouring shown was carried out 2.5