. 2021 Jun 4;19(6):e3001295. doi: 10.1371/journal.pbio.3001295

Table 1. List of contacts between CCK-8 and CCK1R.

Nonbonded contacts			Nonbonded contacts continued
CCK-8	CCK1R	Distance (Å)	CCK-8	CCK1R	Distance (Å)
D1	F185^ECL2	3.69	D7	F198^ECL2	3.39
D1	M195^ECL2	3.50	D7	HIS210^5.39	3.36
Y2-SO₃	P101^2.64	3.59	F8	L356^7.39	3.50
Y2-SO₃	K105^2.68	3.33	F8-NH₂	N98^2.61	2.8
Y2-SO₃	D106^ECL1	3.61
Y2-SO₃	M195^ECL2	3.53	Hydrogen bonds
M3	M195^ECL2	3.47	CCK-8	CCK1R	Distance (Å)
M3	E344^7.29	3.35	Y2-SO₃	C196^ECL2	2.94
G4	R197^ECL2	3.22	M3	R197^ECL2	2.96
G4	E344^7.29	3.81	G4	S348^7.31	2.94
W5	R197^ECL2	3.46	W5	N333^6.55	3.30
W5	R197^ECL2	3.43	D7	Y176^4.60	3.35
W5	R336^6.58	3.54	D7	N333^6.55	2.94
W5	L347^7.30	3.61	F8	C94^2.57	3.80
W5	I352^7.35	3.42	F8	Y360^7.43	2.50
M6	F97^2.60	3.26	Salt bridges
M6	N98^2.61	3.60	CCK-8	CCK1R	Distance (Å)
M6	T118^3.29	3.77	Y2-SO₃	R197^ECL2	2.60
M6	M121^3.32	3.75	Y2-SO₃	R197^ECL2	2.74
M6	C196^ECL2	3.36	D7	R336^6.58	3.60

CCK, cholecystokinin; CCK1R, cholecystokinin type 1 receptor.