Table 1. Binding site metrics from x-ray... | Rockefeller University Press

Table 1.

Binding site metrics from x-ray structures

	R		R*
	AChBP 1UW6, Nic		α4β2 AChR 5KXI, Nic
	Initial	Equilibrated	Initial	Equilibrated
d_x	2.8	3.8	2.1	1.9
d_loopC	12.9	12.9	13.5	14.6
volume	89.2	105.1	82.4	85.6
Θ_s	2.4	2.3	7.5	7.3
Θ_a	98.0	80.4	67.38	319.6
	3WIP, ACh		5KXI, ACh
	Initial	Equilibrated	Initial	Equilibrated
d_x	2.2	3.2	-	2.2
d_loopC	14.3	13.8	-	14.9
volume	97.8	116.7	-	56.7
Θ_s	2.3	2.3	-	7.4
Θ_a	114.3	87.5	-	303.1

	R		R*
	AChBP 1UW6, Nic		α4β2 AChR 5KXI, Nic
	Initial	Equilibrated	Initial	Equilibrated
d_x	2.8	3.8	2.1	1.9
d_loopC	12.9	12.9	13.5	14.6
volume	89.2	105.1	82.4	85.6
Θ_s	2.4	2.3	7.5	7.3
Θ_a	98.0	80.4	67.38	319.6
	3WIP, ACh		5KXI, ACh
	Initial	Equilibrated	Initial	Equilibrated
d_x	2.2	3.2	-	2.2
d_loopC	14.3	13.8	-	14.9
volume	97.8	116.7	-	56.7
Θ_s	2.3	2.3	-	7.4
Θ_a	114.3	87.5	-	303.1

Distances, Å; volume, Å³; angles, degrees. Nic, nicotine.