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![[Figure 2]](ud5038fig2mag.jpg)
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Figure 2
(a) Close-up view of the published Aurora-A crystal structure in complex with MYCN (PDB entry 5g1x) and modelled mutations forming a covalent bond (cyan). The original side chains are visible in grey, showing the same orientation as the modelled cross-link moiety. (b) 2D r.m.s.d. plot of MYCN backbone atoms during 3 × 100 ns MD simulations of ANX. Each 100 ns square represents an independent simulation compared with the replicates. Similar backbone conformations can be observed during all simulations of the modelled ANX construct. (c) 2D r.m.s.d. plot of MYCN backbone atoms during 3 × 100 ns MD simulations without a covalent link being present. The first simulation generates different conformations compared with the second and third simulations, with larger overall deviations in comparison to the simulations of ANX. |
![[Figure 2]](ud5038fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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