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. Author manuscript; available in PMC: 2017 Mar 31.
Published in final edited form as: Biochemistry. 2016 Jul 21;55(30):4184–4196. doi: 10.1021/acs.biochem.6b00130

Figure 1.

Figure 1

Chemical shift variations experienced by XlnB2 upon introduction of the E87A mutation. (A) Cartoon representation of the crystal structure of XlnB2 (PDB entry 5EJ3). The E87A point mutation is displayed as a magenta sphere. Residue clusters presenting the most significant chemical shift changes are color-coded on the structure of XlnB2. (B) 1H–15N HSQC overlay of WT XlnB2 (red) and XlnB2-E87A (blue). A close-up view of the central spectral region is shown on the right. Amino acids are identified by the single-letter code followed by sequential residue numbers. (C) Bar graph representing chemical shift variations (Δδ) between XlnB2 and its E87A variant. The dotted line indicates the altered threshold of chemical shift variations considered significant (Δδ > 0.05 ppm). Δδ values were calculated using the equation Δδ (ppm) = [;(ΔδHN2 + ΔδN2/25)/2]1/2 as described by Gresziek et al.35 (see Experimental Procedures).