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Structural Origins for the Loss of Catalytic Activities of Bifunctional Human LTA4H Revealed through Molecular Dynamics Simulations

Figure 8

The binding modes of RAR at the active site of the enzyme in L-RAR systems.

The binding mode of RAR in (A) WT (cyan), (B) E271Q (light orange) (C) R563A (sand), and (D) K565A (blue white) systems. The amino acid residues and RAR are shown in think stick and ball-stick forms, respectively. The metal ion (zinc) present at the active site is shown in sphere form.

Figure 8

doi: https://doi.org/10.1371/journal.pone.0041063.g008