. Author manuscript; available in PMC: 2013 May 15.

Published in final edited form as: Biochemistry. 2012 May 1;51(19):4035–4048. doi: 10.1021/bi300378n

Table 5.

Close Interactions of the Nicotinamide Rings in Complexes with ADH

Contact to NAD(H)	NAD⁺-Fluoroalcohol	NADH, 1P1R
Cys174 SG - C4N	3.52 ± 0.01^a	3.62 ± 0.04
Thr178 OG1 - C4N	3.42 ± 0.02	3.52 ± 0.04
Thr178 CG2 - C4N	3.39 ± 0.02^a	3.59 ± 0.06^a
Val292 O - C2N	3.03 ± 0.01^a	3.08 ± 0.02^a
Val203 CG2 - C6N	3.64 ± 0.05	3.70 ± 0.05
Lig378 O - C5N	3.04 ± 0.03^a	3.21 ± 0.04^a
Val292 O - N7N	2.95 ± 0.02	2.98 ± 0.02
Ala317 O - N7N	2.98 ± 0.02	2.97 ± 0.02
Phe319 NH - O7N	2.85 ± 0.03	2.80 ± 0.04

The differences between the average distances in the four subunits of complexes with the fluoroalcohols and methylhexylformamide are significant at p < 0.02.