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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.