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![[Figure 8]](ud5016fig8mag.jpg)
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Figure 8
Impact of the heme cofactor on the conformation of the N-terminal part of the JK-loop (with the cofactor, cyan; without the cofactor, green; the DE-fragment is colored orange). (a) R.m.s.d. analysis of the N-terminal part (Gln360–Leu374) of the JK-loop according to cofactor occupancy. (b) Hydrogen-bond pair (cutoff values of 3.5 Å and 30°) analyses for residues Gln360–Leu374 per 20 ps frame. (c) Conformation of the N-terminal extremity according to the presence of the heme cofactor in a frontal view (left) and a lateral view (right) as obtained from 200 ns of MD simulation at 300 K and 1 bar. (d) Conformation of the helix between Ser369 and Glu375 (red) in a simulation with heme cofactor as obtained from 200 ns of MD simulation at 310 K and 1 bar. |
![[Figure 8]](ud5016fig8.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
