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. 2018 Jan 29;19(2):392. doi: 10.3390/ijms19020392

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© 2018 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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(a) Structural superimposition of the GAL-1 (pink)–TD139 (orange) complex and GAL-3 (deep teal)–TD139 (gray) complex. Val31 of GAL-1 is bulkier than the corresponding residue (Ala146) in GAL-3, and the 4-fluorophenyl moiety is forced to rotate approximately 16°. (b) When the structures of GAL-3 (deep teal)–TD139 (gray) and GAL-7 (purple blue)–TD139 (yellow orange) are superimposed, the fluorine atom of the 4-fluorophenyl moiety at GAL-7 B subsite turns approximately 50° away as compared to that in GAL-3. In addition, a large difference is observed between Arg144^GAL-3 and Arg31^GAL-7, that are 6.3 Å apart.