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Figure 1
Hydrogen-bond geometries (distances shown) in α-amylase (green) and tendamistat (cyan) between His201 NE2 and Tyr820 OH for (a) the pseudo-complex and (b) the experimental complex [PDB entry 1bvn (Wiegand et al., 1995BB52); PDB entries 1pig (Machius et al., 1996BB28) and 1hoe (Pflugrath et al., 1986BB38) are the U forms]. ΔASA for the participating atom and all of the interface atoms of the residues are −0.6 and −3.2 Å2, respectively, for His, and 4.2 and 15.5 Å2, respectively, for Tyr.

IUCrJ
Volume 2| Part 6| October 2015| Pages 643-652
ISSN: 2052-2525
doi:10.1107/S2052252515015250