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Binding mode and <i>K</i><sub>i</sub> of KY-05009 for TNIK.

  • Jiyeon Kim (202174)
  • Seong-Hee Moon (525714)
  • Bum Tae Kim (648059)
  • Chong Hak Chae (648060)
  • Joo Yun Lee (648061)
  • Seong Hwan Kim (454048)
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Publication date
October 2014
Icon DOI
10.1371/journal.pone.0110180.g001

Abstract

<p>(A) Chemical structure of KY-05009. (B) Binding mode of KY-05009 for TNIK. KY-05009 has two H-bond interactions with Cys108 (red dotted lines) in the hinge region, and CH/π interactions with Val31, Gly111, and Leu160. The yellow ball represents the CH/π interactions among Val31, ligand, and Gly111. (C) The binding constant, <i>K</i><sub>i</sub>, of KY-05009 for TNIK was determined using an ATP competition assay.</p

Extracted data

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