Interfacial Cholesterol Binding Sites   Anthony Lee - University of Southampton

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Deep Cholesterol Binding Sites

• Introduction
• GPCR Class A
• Rhodopsin and Opsin
• GPCR Class B
• GPCR Class C
• GPCR Class F
• Adiponectin Receptor
• Ion Channels
• Porins Etc.
• Transporters
• Other Membrane Proteins

Interfacial Cholesterol Binding Sites

• Introduction
• GPCR Class A [Part 1]
• GPCR Class A [Part 2]
• GPCR Class B
• GPCR Class C
• GPCR Class F
• Adiponectin Receptor
• TRPA-TRPN channels
• TRPP-TRPV channels
• Potassium channels
• GABA_A receptors
• Scap-Insig dimer
• Dimer sterols

Interfacial Cholesterol Binding Sites on GPCRs

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GPCRs Class F

[With residue numbers in the Wang numbering system; Units of E, kcals/mol with molar concentration units]

PDB	E	Local Residues
Class F Frizzled FZD4
Class F Frizzled FZD4, inactive, Human  6bd4
6bd4_EC	-12.8	I318[3.41], I354[4.52], K358[4.56], V361[4.59], M365[4.63], G389[5.45], F390[5.46], P394[5.50], Y398[5.54], I401[5.57]
	-12.6	F218[1.31], W222[1.35], M474[7.35], A475[7.36], M478[7.39], L479[7.40], F482[7.43], M483[7.44]
6bd4_IC	-13.7	I318[3.41], V321[3.44], I322[3.45], L325[3.48], H343[4.41], Y346[4.44], F347[4.45], A350[4.48], I354[4.52], P394[5.50], T397[5.53], Y398[5.54], I401[5.57]
	-13.1	L443[6.39], V446[6.42], I450[6.46], M483[7.44], L486[7.47], M493[7.54], W494[7.55], W496[7.57]
	-12.9	F241[1.54], F257[2.46], M260[2.49], F311[3.34], F312[3.35], H348[4.46], W352[4.50], A356[4.54]
Class F Smoothened SMO
Class F Smoothened SMO, inactive, Human 4jkv
4jkv_EC	-14.0	D229.B[1.31], S232.B[1.34], Y233.B[1.35], A236.B[1.38], F237.B[1.39], V240.B[1.42], K519.B[7.39], I530.B[7.50]
	-13.2	L246[1.48], F275[2.52], I279[2.56], A283[2.60], M286, E292, S313[3.24], I316[3.27], I320[3.31]
	-12.8	A377[4.62], L405.B[5.48], A406.B[5.49], G409.B[5.52], I413.B[5.56], F467.B[6.48], F471.B[6.52], F474.B[6.55]
	-12.8	I413[5.56], G416[5.59], Y417[5.60], I420[5.63], F460[6.41], L464[6.45], F467[6.48], S468[6.49], F471[6.52]
	-12.5	A406[5.49], G409[5.52], L410[5.53], I413[5.56], V414[5.57], F467[6.48], F471[6.52], F474[6.55], F369.B[4.54]
	-12.4	P306.B, L312.B[3.23], V315.B[3.26], I316.B[3.27], V319.B[3.30], W365.B[4.50], F369.B[4.54], L376.B[4.61]
	-12.3	Y233[1.35], A236[1.38], F237[1.39], V240[1.42], F523[7.43], I530[7.50], T534[7.54], W537[7.57]
4jkv_IC	-14.9	R451.B[6.32], I454.B[6.35], F455.B[6.36], L458.B[6.39], F462.B[6.43], F523.B[7.43], T534.B[7.54], W537.B[7.57]
	-13.9	L410[5.53], I413[5.56], W256.B, N260.B, Y269.B[2.46], T357.B[4.42], S358.B[4.43], Y359.B[4.44], H361.B[4.46], L362.B[4.47], F369.B[4.54]
	-13.9	V253[1.55], W256, F268[2.45], Y269[2.46], A272[2.49], V276[2.53], V319[3.30], I320[3.31], Y323[3.34]
	-13.9	Y323[3.34], Y359[4.44], H361[4.46], L362[4.47], W365[4.50], F369[4.54], Y337.B[3.48], H340.B[3.51], Y417.B[5.60], F418.B[5.61], R421.B[5.64]
	-13.5	F237[1.39], E447[6.28], R451[6.32], I454[6.35], F455[6.36], L458[6.39], F523[7.43], I530[7.50], A531[7.51], T534[7.54], W537[7.57]
	-12.9	A239.B[1.41], V240.B[1.42], L243.B[1.45], C244.B[1.46], F247.B[1.49], W537.B[7.57], T538.B[8.47], L542.B[8.51]
	-12.7	W339[3.50], L426[5.69], L450[6.31], I454[6.35], F457[6.38], L458[6.39], G461[6.42], L464[6.45], I465[6.46]
Class F Smoothened SMO, inactive, Human 4n4w
4n4w_EC	-13.5	I413[5.56], G416[5.59], I420[5.63], F460[6.41], L464[6.45], F467[6.48], S468[6.49], F471[6.52], F475[6.56]
	-13.3	L246[1.48], F275[2.52], I279[2.56], L282[2.59], A283[2.60], F285[2.62], M286, D287
	-13.0	L246[1.48], F275[2.52], I279[2.56], M286, E292, S313[3.24], I316[3.27], I317[3.28], I320[3.31]
	-12.6	L367[4.52], L371[4.56], R398[5.41], Y399[5.42], G402[5.45], F403[5.46], A406[5.49], L410[5.53]
4n4w_IC	-14.1	V319[3.30], Y323[3.34], S358[4.43], H361[4.46], L362[4.47], W365[4.50], S366[4.51], F369[4.54]
	-13.4	V330[3.41], V333[3.44], V334[3.45], Y337[3.48], F360[4.45], L363[4.48], L367[4.52], L371[4.56], P407[5.50], L410[5.53], V414[5.57], F418[5.61]
	-12.8	W256, F268[2.45], Y269[2.46], V276[2.53], V319[3.30], I320[3.31], Y323[3.34], H361[4.46], W365[4.50]
Class F Smoothened SMO, inactive, Human 4o9r
4o9r_EC	-13.5	L246[1.48], F275[2.52], I279[2.56], L282[2.59], A283[2.60], F285[2.62], M286, D287
	-12.9	F275[2.52], V276[2.53], I279[2.56], E292, S313[3.24], I316[3.27], I317[3.28], I320[3.31]
	-12.8	L412[5.55], I413[5.56], F460[6.41], L464[6.45], F467[6.48], S468[6.49], F471[6.52], Y472[6.53], F475[6.56], N476[6.57]
	-12.7	F460[6.41], G461[6.42], L464[6.45], I465[6.46], S468[6.49], Y472[6.53], V517[7.37], I520[7.40]
4o9r_IC	-14.2	F237[1.39], R451[6.32], I454[6.35], F455[6.36], L458[6.39], F523[7.43], I530[7.50], A531[7.51], T534[7.54], W537[7.57]
Class F Smoothened SMO, inactive, Human 4qim
4quim_EC	-12.7	I413[5.56], Y417[5.60], I420[5.63], F460[6.41], L464[6.45], F467[6.48], S468[6.49], F471[6.52]
4qim_IC	-14.3	V240[1.42], L243[1.45], F247[1.49], V536[7.56], W537[7.57], T538[8.47], K539[8.48], T541[8.50], L542[8.51]
	-13.1	L450[6.31], R451[6.32], I454[6.35], F455[6.36], L458[6.39], F523[7.43], G527[7.47], I530[7.50], A531[7.51], T534[7.54], W537[7.57]
	-13.1	V319[3.30], Y323[3.34], H361[4.46], L362[4.47], W365[4.50], S366[4.51], F369[4.54], T372[4.57]
	-12.8	W256, F268[2.45], Y269[2.46], A272[2.49], V276[2.53], I279[2.56], I320[3.31], W365[4.50]
Class F Smoothened SMO, inactive, Human 4qin
4quin_EC	-14.1	F237[1.39], R451[6.32], I454[6.35], F455[6.36], L458[6.39], F523[7.43], I530[7.50], A531[7.51], T534[7.54], W537[7.57]
	-13.4	V319[3.30], Y323[3.34], S358[4.43], H361[4.46], L362[4.47], W365[4.50], F369[4.54], T372[4.57], V373[4.58]
	-12.9	L412[5.55], I413[5.56], G416[5.59], Y417[5.60], I420[5.63], R421[5.64], M424[5.67], L464[6.45], F467[6.48]
	-12.7	V333[3.44], Y337[3.48], F360[4.45], L363[4.48], L367[4.52], A406[5.49], L410[5.53], V414[5.57], F418[5.61]
4qin_IC	-13.0	P306, L312[3.23], V315[3.26], I316[3.27], V319[3.30], Y323[3.34], W365[4.50], F369[4.54], T372[4.57], V373[4.58], L376[4.61]
	-12.8	L246[1.48], F275[2.52], I279[2.56], A283[2.60], M286, L312[3.23], S313[3.24], I316[3.27], I317[3.28]
	-12.7	S366[4.51], L367[4.52], V370[4.55], L371[4.56], A374[4.59], V378[4.63], Y399[5.42], G402[5.45], F403[5.46]
	-12.5	L412[5.55], I413[5.56], G416[5.59], F460[6.41], L464[6.45], F467[6.48], S468[6.49], F471[6.52]
	-12.1	A401[5.44], L405[5.48], A406[5.49], G409[5.52], L412[5.55], I413[5.56], F467[6.48], F471[6.52], F474[6.55], F475[6.56]
	13.2	A239[1.41], L243[1.45], L246[1.48], F247[1.49], L282[2.59], F285[2.62], M286, D287
Class F Smoothened SMO, inactive, Human 5l7d
5l7d_EC	-14.1	F275[2.52], I279[2.56], T311, L312[3.23], S313[3.24], I316[3.27], I317[3.28], I320[3.31]
	-12.5	L367[4.52], L371[4.56], R398[5.41], Y399[5.42], A401[5.44], G402[5.45], F403[5.46], A406[5.49]
	-12.5	D229[1.31], S232[1.34], Y233[1.35], A236[1.38], F237[1.39], V240[1.42], K519[7.39], I530[7.50], W537[7.57]
	-12.5	L412[5.55], I413[5.56], L464[6.45], F467[6.48], S468[6.49], F471[6.52], Y472[6.53], N476[6.57]
Class F Smoothened SMO, inactive, Human 5l7i
5l7i_EC	-13.5	F275[2.52], I279[2.56], M286, E292, S313[3.24], I316[3.27], I317[3.28], I320[3.31]
5l7i_IC	-15.3	V240[1.42], L243[1.45], F247[1.49], V536[7.56], W537[7.57], T538[8.47], K539[8.48], T541[8.50], L542[8.51]
	-14.4	F237[1.39], R451[6.32], F455[6.36], L458[6.39], F462[6.43], F523[7.43], G527[7.47], I530[7.50], A531[7.51], T534[7.54], W537[7.57]
	-13.8	V319[3.30], Y323[3.34], S358[4.43], H361[4.46], L362[4.47], W365[4.50], S366[4.51], F369[4.54]
	-13.1	V253[1.55], W256, F268[2.45], Y269[2.46], V276[2.53], V319[3.30], I320[3.31], Y323[3.34]
	-12.6	V330[3.41], V333[3.44], Y337[3.48], F360[4.45], L363[4.48], L367[4.52], L410[5.53], V414[5.57], F418[5.61]