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. Author manuscript; available in PMC: 2009 Mar 7.
Published in final edited form as: J Mol Biol. 2008 Jan 5;376(5):1360–1376. doi: 10.1016/j.jmb.2007.12.063

Figure 2. Hydrogen Bonding Patterns in MD Calculations of LUSH-alcohol complexes.

Figure 2

Hydrogen bond distances between alcohols and S57 and T57 in representative MD simulations of LUSH-ethanol complexes (a and b) and LUSH-butanol complexes (c and d). Butanol binds in the site for a longer period of time than ethanol. When bound, generally, alcohols act as hydrogen bond donors to S52 and accept a hydrogen bond from T57.