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Figure 3.
Fig. 3. The NNI binding site and polymerase active site.
(a) A stereodiagram showing the superposition of the NNI binding
site in RTMC and wild-type RT. The protein backbone is shown by
thin sticks. The NNIs (thick bonds) and side chains that have
contacts with the NNIs are shown as ball-and-stick
representations. The RTMC is colored in green with residue 181
and the bound 1051U91 highlighted in red. The wild-type RT is
colored in blue with residue 181 and bound 1051U91 highlighted
in yellow. (b) A stereodiagram of the superposition of the
active sites in RTMC (green), the wild type unliganded (red),
and six NNI-bound RT structures (blue for RT-1051U91, gray for
others) showing the structural changes at the active site in
RTMC caused by 215 and 219 mutations. The C  trace and
side chains for residues 110, 185, 186, 215, and 219 are shown
for RTMC, wild-type unliganded RT, and RT-1051U91; the C traces only
are shown for RT-Cl-TIBO, RT-BHAP, RT-nevirapine, RT-MKC-442,
and RT- -APA. In
the p51 subunit, residues 215 and 219 are disordered whereas
residues 67 and 70 do not show significant rearrangement from
the wild-type p51.
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