Figure 2.
Figure 2 Details of HināDNA interactions within the major
groove of Br18. (A) Stereo view of major groove interactions.
Ser174 and the side chain of Arg178 within helix 3 are depicted
in ball-and-stick representation. The methyl of T22 is rendered
in space filling to illustrate its van der Waals interaction
with W1. (B) Simulated-anneal F[o] - F[c] omit map of Br18
(contoured at 3.0 ),
with the two interface water residues, Ser174 and Arg178,
deleted from the final model during refinement from 5000K to
300K. (C) Ladder diagram of contacts within the major groove. D
and A represent H-bond donors and acceptors: for adenine, A = N7
and D = N6; for thymine, A = O4; for guanine, A = N7 and O6; and
for cytosine, D = N4. Bond distances given are for Br18. Lower
case letters signify that the atoms are >3.5 Å away from
either water or protein atoms.
The above figure is reprinted
from an Open Access publication published by Macmillan Publishers Ltd:
EMBO J
(2002,
21,
801-814)
copyright 2002.
),
with the two interface water residues, Ser174 and Arg178,
deleted from the final model during refinement from 5000K to
300K. (C) Ladder diagram of contacts within the major groove. D
and A represent H-bond donors and acceptors: for adenine, A = N7
and D = N6; for thymine, A = O4; for guanine, A = N7 and O6; and
for cytosine, D = N4. Bond distances given are for Br18. Lower
case letters signify that the atoms are >3.5 Å away from
either water or protein atoms.