Table 2.

Anionic lipid binding sites in 9-copy simulations

Binding sitea	TM1_H8			ICL1_TM4			TM3_TM4_ICL2			TM3_TM5			TM5_TM6_ICL3			TM6_TM7
A2aR stateb	I	A	AmG	I	A	AmG	I	A	AmG	I	A	AmG	I	A	AmG	I	A	AmG
PIP2binding sites in PIP2-containing simulations
Residence time (μs)	1.4	1.6	20.2	0.6	1.0	21.3	0.5	0.5	27.1	1.5	3.2	20.4	0.8	4.9	8.1	2.4	12.1	31.3
No. of PIP2 molecules	4.4	2.9	5.4	2.7	2.1	3.1	3.0	3.0	3.3	3.8	3.6	5.1	4.2	5.6	5.1	3.9	4.1	3.4
DOPS binding sites in PIP2-free simulations
Residence time (μs)	0.2	0.7	1.7	0.2	0.17	1.2	0.2	0.2	3.5	0.06	0.09	2.9	0.2	0.2	2.4	0.2	0.5	3.0
No. of DOPS molecules	1.6	1.6	1.6	1.3	1.4	1.6	1.6	1.6	1.7	1.5	1.5	1.6	1.6	1.6	1.4	1.4	1.8	1.7

^aThe binding sites are illustrated in Figure 6B, to which the color coding used above corresponds. Binding sites were calculated based on the interactions of head group beads.

^bI, inactive; A, active; AmG, active + mini Gs.