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Figure 4
Substrate binding by LsAA9_A. (a) Top and side view of G6 binding in LsAA9_A (PDB entry 5aci): LsAA9_A is shown in grey with the loops L2, L3, LS and LC coloured yellow, green, red and blue, respectively. The cellohexaose substrate, the His brace and selected substrate-interacting residues are shown as sticks. Residues are coloured in accordance with the structural elements to which they belong. (b) Comparison of glycoside units binding at the −2/+1 subsite in LsAA9_A (bottom; PDB entry 5acf) and the Michaelis–Menten complex of endoglucanase Cel5A from Bacillus agaradhaerens with 2′,4′-dinitrophenyl-2-deoxy-2-fluoro-β-D-cellobioside (PDB entry 4a3h; Davies et al., 1998BB25). (c) Comparison of the active sites of LsAA9_A (with protein in green and waters in red; PDB entry 5acg) and TtAA9_E (PDB entry 3eii; chain B; all in grey). The glucosyl unit in subsite +1 of LsAA9_A–copper(II)–G3 (PDB entry 5acf) is superimposed and shown in yellow.

IUCrJ
Volume 3| Part 6| November 2016| Pages 448-467
ISSN: 2052-2525