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. 2020 May 8;11:2294. doi: 10.1038/s41467-020-16213-9

Fig. 5. Structural analysis of the DNMT3AR882H–CAG complex.

Fig. 5

a DNA sequence (CAG) used for the structural study. b Structural superposition of the DNMT3AR882H–CGA, DNMT3AR882H–CGT and DNMT3AR882H–CAG complexes, with the aligned catalytic loops, TRD loops and RD interfaces shown in expanded views. The side chains of the DNA-contacting residues are shown in stick representation. ce van der Waals contacts between the catalytic loop (V716 and P718) and the nucleotide downstream of the methylation site (G6 or A6) in the DNMT3AR882H–CGA (c), DNMT3AR882H–CGT (d) and DNMT3AR882H–CAG (e) complexes. f Close-up views of the interaction between TRD residue R836, with two alternative conformations, and the CAG DNA. The hydrogen-bonding interactions are shown as dashed lines.