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. Author manuscript; available in PMC: 2021 Jan 7.
Published in final edited form as: Structure. 2019 Oct 31;28(1):29–43.e6. doi: 10.1016/j.str.2019.10.008

Figure 2: Solution structure of [Ub]2–11,48Ub.

Figure 2:

PREs (I/I0) for (A) UbK48C~MTSL[Ub(15N)]–11,48Ub, (B) Ub(15N)[UbK48C~MTSL]–11,48Ub, and (C) 15N-monoUbK48C~MTSL. Colored bars depict experimental PREs, while red circles represent PREs back-calculated from the reconstructed MTSL position. Residues denoted with an asterisk were not observed in the NMR spectra and not included in analysis. (D) Top-down view of the crystal structure of [Ub]2–11,48Ub, where the actual positions of MTSL attached to each distal Ub are represented by grey spheres, while the reconstructed MTSL positions are shown as red spheres. (E) Superposition of the ten top-scoring [Ub]2–11,48Ub NMR structures. (F) Alignment, via the proximal Ubs, between the crystal (grey) and NMR (colored) structures of [Ub]2–11,48Ub. (G) NMR structure of [Ub]2–11,48Ub, with hydrophobic patch residues shown as red sticks. (H) Residues with significant CSPs shown as orange sticks on the NMR structure of [Ub]2–11,48Ub. CSPs were between respective Ub3 and Ub2 species; only residues with CSPs larger than one standard deviation above the average were selected. (I) Superposition of the ten best [Ub]2–11,48Ub NMR structures, where the actual positions of MTSL attached to each distal Ub are represented by grey spheres, while the reconstructed MTSL positions are shown as red spheres. For (D-I), the Ub coloring scheme is as in Fig. 1. See also Figures S2–3 and Tables S3–4.