 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 8]](wd5133fig8_combined_mag.jpg)
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Figure 8
Comparison of the JCSG NMR structure and the NESG NMR structure of TM1112 with the crystal structure. (a) Global r.m.s.d. values describing the precision of the structure determinations of TM1112 by NMR and X-ray crystallography and pairwise comparisons of the four structures, as in Fig. 3 ![[link]](../../../../../../logos/arrows/f_arr.gif) . (b) Stereoview of a superposition for best fit of the polypeptide backbone heavy atoms of residues 2–89 of the NMR structures solved by the JCSG (brown; PDB code 2k9z
) and the NESG (cyan; PDB code 1lkn
). When generating this picture, we first computed the mean atom coordinates of the 20 JCSG NMR conformers (Fig. 1b) and identified the conformer closest to the mean. Each of the other 19 JCSG NMR conformers and the ten NESG NMR conformers were then superimposed for best fit of the backbone heavy atoms with this conformer. (c) Stereoview of the aromatic side chains in the bundle of 20 conformers representing the JCSG NMR structure (brown) superimposed with CrystA and CrystB (black). (d) The same presentation as in (c) for the NESG bundle of ten NMR conformers, with the aromatics in cyan. For ease of orientation in (c) and (d), the backbone of the best NMR conformer in each bundle is indicated with a thin line. When generating the drawings (c) and (d), CrystB and the 20 JCSG NMR conformers or the ten NESG NMR conformers, respectively, were superimposed for best fit of the polypeptide-backbone heavy atoms with CrystA. |
![[Figure 8]](wd5133fig8_combined.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
