Table 2.
Human AChR gating and binding free energy changes
SiteAgonistΔG1ΔGRΔGR*
α–ε ACh 2.8 −5.6 −11.2 
CCh 3.3 −5.1 −10.4 
TMA 3.7 −4.4 −9.1 
Cho 5.1 −3.4 −6.7 
α–δ ACh 3.2 −5.3 −10.5 
CCh 3.8 −4.6 −9.2 
TMA 4.2 −4.2 −8.5 
Cho 5.5 −3.2 −6.1 
α–δ Epi 3.7 −7.0 −11.7 
Ebx 4.0 −5.9 −10.4 
Anx 4.8 −5.0 −8.7 
Aza 5.4 −4.1 −7.1 
α–γ ACh 1.7 −5.2 −13.1 
CCh 2.9 −5.4 −12.1 
TMA 3.7 −4.7 −10.6 
Cho 4.6 −4.1 −9.0 
SiteAgonistΔG1ΔGRΔGR*
α–ε ACh 2.8 −5.6 −11.2 
CCh 3.3 −5.1 −10.4 
TMA 3.7 −4.4 −9.1 
Cho 5.1 −3.4 −6.7 
α–δ ACh 3.2 −5.3 −10.5 
CCh 3.8 −4.6 −9.2 
TMA 4.2 −4.2 −8.5 
Cho 5.5 −3.2 −6.1 
α–δ Epi 3.7 −7.0 −11.7 
Ebx 4.0 −5.9 −10.4 
Anx 4.8 −5.0 −8.7 
Aza 5.4 −4.1 −7.1 
α–γ ACh 1.7 −5.2 −13.1 
CCh 2.9 −5.4 −12.1 
TMA 3.7 −4.7 −10.6 
Cho 4.6 −4.1 −9.0 

All values are kilocalories per mole. ΔG1, gating with one bound agonist; ΔGR, binding to the resting conformation; ΔGR*, binding to the active conformation (Fig. 1 b).

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