Skip to main content
. Author manuscript; available in PMC: 2018 Aug 15.
Published in final edited form as: Arch Biochem Biophys. 2017 May 5;628:71–80. doi: 10.1016/j.abb.2017.05.002

Figure 4. Conformational sub-states of xylanase B2 (XlnB2) from Streptomyces lividans determined using computational simulations and QAA.

Figure 4

Representative conformations along the top three modes for the interconversion between free and (A–B) X6-bound and (C–D) X9-bound XlnB2 binary complexes. A total of 200,000 conformational snapshots obtained from the MD simulations were used as input for QAA to identify the top QAA-independent component vectors for characterizing the primary dynamics associated with the substrate binding process in XlnB2. Reprinted with permission from ref. 82. Copyright 2016 American Chemical Society.