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Table 1 Binding energy of peptides containing lysine-histone substrates onto the CD of NSD1, NSD2, and NSD3

From: In vitro histone lysine methylation by NSD1, NSD2/MMSET/WHSC1 and NSD3/WHSC1L

(kcal/mol) NSD1 NSD2 NSD3
H3K4 −229.7 −299.4 −200.5
H3K9 −353.2 −280.4 −282.9
H3K27 −151.9 −252.6 −247.4
H3K36 −277.1 −272.2 −261.6
H3K79 −285.6 −332.4 −254.3
H4K20 −277.2 −269.5 −289.0
polyE 444.2 862.9 663.2
  1. Peptides are as follows: H3K4 (a.a. 1–7); H3K9 (a.a. 5–11); H3K27 (a.a. 23–29); H3K36 (a.a. 32–38); H3K79 (a.a. 75–81); H4K20 (a.a. 16–22). The polyE is a 6-mer poly-glutamic acid peptide used as a control experiment for the docking studies.