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. 2021 Aug 2;64(15):11288–11301. doi: 10.1021/acs.jmedchem.1c00663

Figure 3.

Figure 3

(A) Chemical structure of 15. 15 contains a hydrophobic head group (yellow), core region (blue), and the tail group (pink). (B) Crystal structure of MTHFD2 (deep teal) in complex with 15 (yellow) and 21 (gray) (PDB 7EHM). Hydrogen-bond and π–π interactions are shown in red and green dashed lines, respectively. The water molecule is shown as a sphere (bright orange). The tail of 15 forms a hydrogen-bond network with the side chains of Ser81 (S81/OG), Gln132, and the main chain of Leu133 bridged with a water molecule.