Details of oxidation-binding modes for 2- or 3-fluorinated glucose.

Abstract

a<p>The following three criteria are considered consistent with a productive binding mode: (i) The sugar is oriented for oxidation at C2; (ii) the substrate-binding loop is in the semi-open conformation; (iii) the side chain Oγ1 group of Thr169 is pointing away from the flavin N(5)/O(4) locus.</p>b<p>PDB code 3PL8 <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0086736#pone.0086736-Tan1" target="_blank">[19]</a>.</p>c<p>PDB code 2IGO <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0086736#pone.0086736-Kujawa1" target="_blank">[14]</a>.</p>d<p>The ability of P2O variants to stabilize either the α- or β-anomer is uncorrelated to space group and crystal contacts, and depends solely on the new structural context provided by the mutation.</p>e<p>Italicized interactions represent interactions with the catalytic residues.</p

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