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. Author manuscript; available in PMC: 2021 Feb 28.
Published in final edited form as: Nat Chem Biol. 2020 Aug 31;16(12):1403–1410. doi: 10.1038/s41589-020-0626-6

Extended Data Fig. 2. Crystal structure of NSD1 SET domain in complex with covalently bound compound BT3.

Extended Data Fig. 2.

a) The crystal structure of NSD1 SET domain (residues 1863–2085) with bound BT3 (blue), SAM (pale blue) and mapped residues undergoing strong chemical shift perturbations (ΔσHN > 0.05ppm or ΔσN > 0.5ppm) upon binding of BT3 (shown in red). Disulfide-bond dimer of BT3 found in the structure (pale green). The dimer binds in a site that is distant from inhibitor binding and lack of chemical shift perturbations in this area indicates that this represents a crystallization artifact. b) Same as in panel a rotated by 90 deg.