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. 2019 Nov 4;24(21):3987. doi: 10.3390/molecules24213987

Table 3.

Distance of His64 imidazole group from Zn2+ for the “in” and “out” conformations. All distances are measured from the His64 imidazole ring centroid to the Zn2+. Faux refers to other conformations observed excluding traditional “in” and “out” occupied by His64.

Variant Imidazole-Zn2+ Distance (Å)
apo BCT CO2
In Out Faux in In Out Faux in In Out Faux in
K18E 8.65 * 7.30 8.08 11.09 * 6.96 11.20 *
K18Q 8.11 11.01 * 8.22 * * 8.96 10.42 *
H107Y 8.50 10.63 * 8.24 10.86 * 7.98 10.67 *
P236H 8.57 11.26 * 8.70 12.02 * 7.12 11.71 *
P236R 8.26 11.02 7.36 7.99 10.84 * 7.50 10.43 *
N252D 8.11 11.33 * 8.65 10.93 * 8.63 11.20 *
WT 8.24 11.21 * 8.57 11.07 * 8.45 11.31 *

* Conformation not observed.