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. 2017 Sep 15;429(19):2895–2906. doi: 10.1016/j.jmb.2017.08.007

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© 2017 The Authors. Published by Elsevier Ltd.

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

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Fig. 4. — Comparison of the binding modes of TCA intermediates and L- and D-2HG within the 2OG binding pockets of KDM5B and KDM4A. (a) Overlay of a structure of KDM5B complexed with 2OG (green) or oxaloactetate (yellow). Tyr425 is observed in different conformations, one of which is replaced by solvent molecules in the structure with oxaloacetate. (b) Overlay of KDM5B complexed with L-2HG (gray) and D-2HG (cyan) showing alternative positions for the C-5 carboxylate. (c–d) Overlay of L-2HG (c) and D-2HG (d) complexed with KDM4A (magenta) and KDM5B (D-2HG, cyan; L-2HG, gray). Note the nearly identical binding modes for the L-2HG with KDM5B and KDM4A, but the different binding modes for the C-5 carboxylate of D-2HG.