Influence of the presence of the heme cofactor on the JK-loop structure in indoleamine 2,3-dioxygenase 1

Mirgaux, M.; Leherte, L.; Wouters, J.

doi:10.1107/S2059798320013510

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 7
Impact of the heme cofactor on the JK-loop conformation (with the cofactor, cyan; without the cofactor, green). R.m.s.d. (a) and r.m.s.f. (b) analysis of the JK-loop according to cofactor occupancy. (c) R.m.s.d. of the C-terminal part of the JK-loop according to cofactor occupancy. (d) Conformation of the C-terminal part of the JK-loop according to the presence of the heme cofactor. Opening of the JK-loop is illustrated with the heme (left) and without the heme (right) as obtained from 200 ns of MD simulation at 310 K and 1 bar.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 76| Part 12| December 2020| Pages 1211-1221

https://doi.org/10.1107/S2059798320013510

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