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 A
• 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 B

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

PDB	E	Local Residues
Calcitonin receptor-like receptor
Calcitonin receptor-like receptor, inactive, Human 6e3y
6e3y_EC	-13.5	I123.E, I127.E[1.25], L131.E[1.29], H289, Y292[5.37], C299[5.44], A300[5.45], L303[5.48], V304[5.49], R355
	-12.8	I146[1.44], I153[1.51], A154[1.52], L157[1.55], I192[2.65], I193[2.66], T196[2.69], A197[2.70]
	-12.7	F182[2.55], C186[2.59], V190[2.63], I193[2.66], S211[3.28], C212[3.29], V214[3.31], S215[3.32], I218[3.35], L222[3.39]
	-12.7	N140[1.38], Y143[1.41], L144[1.42], I147[1.45], L151[1.49], I371[7.44], F375[7.48], L378[7.51]
	-12.3	V210[3.27], K213[3.30], V214[3.31], F217[3.34], L264[4.54], C268[4.58], A271[4.61], W283
6e3y_IC	-13.7	R336[6.40], I340[6.44], I371[7.44], F375[7.48], L378[7.51], L379[7.52], T382[7.55], I383[7.56]
	-13.6	F164[1.62], N179[2.52], F182[2.55], F217[3.34], I218[3.35], Y221[3.38], Y256[4.46], W260[4.50], L264[4.54]
	-12.6	L131.E[1.29], A135.E[1.33], V138.E[1.36], K142.E[1.40], L303[5.48], V304[5.49], F307[5.52], F308[5.53]
	-12.8	L157[1.55], L160[1.58], G161[1.59], I162[1.60], F164[1.62], Y165[1.63], F182[2.55], V185[2.58]
Corticotropin CRF1R
Corticotropin CRF1R, inactive, Human 4k5y
4k5y_EC	-13.2	G186[3.27], R189[3.30], L190[3.31], A193[3.34], A194[3.35], Y197[3.38], F198[3.39], W236[4.50], F240[4.54], I243[4.57], A247[4.61], L251[4.65], W259
	-12.9	F204[3.45], F207[3.48], I234[4.48], V238[4.52], I242[4.56], A245[4.59], I271[5.38], P275[5.42], L278[5.45], V279[5.46]
4k5y_IC	-13.9	N157[2.52], L164[2.59], A194[3.35], Y197[3.38], F198[3.39], I232[4.46], W236[4.50], F240[4.54]
	-13.5	F207[3.48], C211[3.52], T215[3.56], M230[4.44], F231[4.45], I234[4.48], L278[5.45], I282[5.49], F286[5.53]
	-12.3	H214[3.55], V218[3.59], L278[5.45], L281[5.48], I282[5.49], I285[5.52], F286[5.53], N289[5.56]
	-12.0	L135[1.55], F138[1.58], V139[1.59], L142[1.62], L164[2.59], A167[2.62], T168[2.63], V171[2.66]
Corticotropin CRF1R, inactive, Human 4z9g
4z9g_EC	-13.5	P321[6.47], I325[6.51], L329[6.55], E336, S340[7.34], V343[7.37], F344[7.38], F347[7.41]
	-13.2	F204[3.45], V238[4.52], I242[4.56], A245[4.59], Y253[4.67], I271[5.38], P275[5.42], L278[5.45]
4z9g_IC	-13.8	F204[3.45], F207[3.48], C211[3.52], T215[3.56], R225, L226[4.40], I234[4.48], V238[4.52], I242[4.56], P275[5.42], L278[5.45], I282[5.49]
	-13.5	L142[1.62], I147, I153[2.48], N157[2.52], L164[2.59], Y197[3.38], I232[4.46], W236[4.50]
Glucagon receptor
Glucagon receptor, inactive, Human 4l6r
4l6r_EC	-13.8	I315[5.47], N318[5.50], F319[5.51], F322[5.54], I355[6.46], P356[6.47], V360[6.51], V363[6.54], F367[6.58], V368
	-12.7	F322[5.54], P356[6.47], L357[6.48], V360[6.51], H361[6.52], V364[6.55], K381[7.38], F384[7.41]
	-12.7	M301[5.33], W304[5.36], W305[5.37], F309[5.41], F312[5.44], L313[5.45], L316[5.48], I317[5.49]
	-12.3	Q142[1.40], V143[1.41], T146[1.44], S150[1.48], L153[1.51], L157[1.55], L192[2.65], D195[2.68], G196[2.69]
	-12.2	Q142[1.40], V143[1.41], T146[1.44], S150[1.48], L153[1.51], G154[1.52], L157[1.55], L192[2.65], D195[2.68]
	-12.1	A222[3.27], R225[3.30], V226[3.31], V229[3.34], Y233[3.38], M276[4.54], V280[4.58], V284[4.62], L288[4.66]
4l6r_IC	-12.6	V147[1.45], L151[1.49], F391[7.48], L394[7.51], V398[7.55], F402[7.59], L403[7.60], Q408[8.51]
	-12.5	K349[6.40], T353[6.44], L357[6.48], F387[7.44], L388[7.45], L395[7.52], L399[7.56], L403[7.60]
	-12.8	F345[6.36], K349[6.40], L352[6.43], T353[6.44], P356[6.47], L357[6.48], V360[6.51], H361[6.52]
Glucagon receptor, inactive, Human 5ee7
5ee7_EC	-14.1	Q142[1.40], T146[1.44], S150[1.48], L153[1.51], A154[1.52], L157[1.55], L192[2.65], D195[2.68], G196[2.69], T200[2.73]
	-13.5	A222[3.27], R225[3.30], V226[3.31], V229[3.34], F230[3.35], Y233[3.38], A283[4.61], C287[4.65], W295
	-12.7	I315[5.47], N318[5.50], F319[5.51], F322[5.54], I355[6.46], P356[6.47], V360[6.51], V363[6.54], V364[6.55], F367[6.58]
5ee7_IC	-14.2	L247[3.52], H250[3.55], L313[5.45], L316[5.48], I317[5.49], F320[5.52], I321[5.53], R324[5.56]
	-13.1	L157[1.55], L160[1.58], A161[1.59], G164[1.62], G165[1.63], L182[2.55], V185[2.58], S189[2.62]
Glucagon receptor, inactive, Human 5xez
5xez_EC	-15.2	T146[1.44], S150[1.48], L153[1.51], G154[1.52], L192[2.65], D195[2.68], G196[2.69], R199[2.72]
	-13.4	R225[3.30], V226[3.31], V229[3.34], F230[3.35], M276[4.54], V280[4.58], A283[4.61], C287[4.65], N291, W295
	-13.1	W304[5.36], F312[5.44], L316[5.48], F320[5.52], V363[6.54], A366[6.57], F367[6.58], T369, D370
	-13.0	T353[6.44], L357[6.48], V360[6.51], H361[6.52], V364[6.55], K381[7.38], F384[7.41], D385[7.42]
	-12.8	V185[2.58], L186[2.59], V193[2.66], G219, A222[3.27], G223[3.28], V226[3.31], F230[3.35]
5xev_IC	-14.4	S265[4.43], L266[4.44], G269[4.47], G273[4.51], M276[4.54], L277[4.55], V280[4.58], P281[4.59], V284[4.62]
	-12.8	N179[2.52], L186[2.59], V229[3.34], F230[3.35], Y233[3.38], L268[4.46], W272[4.50], M276[4.54], V280[4.58]
	-12.7	L160[1.58], G164[1.62], A178[2.51], A182[2.55], V185[2.58], L186[2.59], S189[2.62], F230[3.35]
Glucagon receptor, inactive, Human 5xf1
5xf1_EC	-14.2	T146[1.44], S150[1.48], L153[1.51], G154[1.52], L158[1.56], L192[2.65], G196[2.69], R199[2.72]
	-13.7	L153[1.51], L157[1.55], L160[1.58], V185[2.58], S189[2.62], L192[2.65], V193[2.66], G196[2.69], L197[2.70], R199[2.72]
	-13.5	V185[2.58], L186[2.59], S189[2.62], V193[2.66], L197[2.70], G219, G223[3.28], V226[3.31]
	-13.1	T353[6.44], P356[6.47], L357[6.48], V360[6.51], H361[6.52], V364[6.55], K381[7.38], F384[7.41], D385[7.42]
	-12.7	R225[3.30], V226[3.31], V229[3.34], F230[3.35], M276[4.54], V280[4.58], A283[4.61], C287[4.65], W295
5xf1_IC	-13.7	S265[4.43], L268[4.46], G269[4.47], G273[4.51], M276[4.54], L277[4.55], V280[4.58], P281[4.59]
	-12.8	L157[1.55], L160[1.58], G164[1.62], A178[2.51], A182[2.55], V185[2.58], L186[2.59], S189[2.62], F230[3.35]
	-13.2	N179[2.52], L186[2.59], V229[3.34], F230[3.35], Y233[3.38], L268[4.46], W272[4.50], M276[4.54]
	-13.0	K349[6.40], S350[6.41], T353[6.44], L357[6.48], L399[7.56], L403[7.60], N404[8.47], K405[8.48]
Glucagon-like peptide receptor (GLP-1R)
Glucagon-like peptide receptor (GLP-1R), inactive, Human 5vew
5vew_EC	-14.9	Y145[1.40], T149[1.44], V150[1.45], A153[1.48], L154[1.49], S157[1.52], I161[1.56], F195[2.65], D198[2.68]
	-12.8	P358[6.47], L359[6.48], T362[6.51], H363[6.52], I366[6.55], F367[6.56], R380[7.35], K383[7.38], L384[7.39]
	-12.8	Q140[1.35], F143[1.38], L144[1.39], I147[1.42], I382[7.37], T386[7.41], S389[7.44], F393[7.48], L396[7.51], M397[7.52]
	-12.7	L224[3.27], L228[3.31], L231[3.34], Y235[3.38], L278[4.54], V282[4.58], I286[4.62], Y289[4.65]
5vew_IC	-13.5	Y242[3.45], L245[3.48], I272[4.48], V276[4.52], L279[4.55], F280[4.56], I308[5.38], P312[5.42], F315[5.45]
	-13.1	L167[1.62], Y178[2.48], L181[2.51], N182[2.52], A185[2.55], L189[2.59], L192[2.62], F266[4.42], W274[4.50]
	-13.1	N182[2.52], L232[3.35], Y235[3.38], F266[4.42], V270[4.46], W274[4.50], L278[4.54], V282[4.58]
Glucagon-like peptide receptor (GLP-1R), inactive, Human 5vex
5vex_EC	-14.0	A153[1.48], F156[1.51], S157[1.52], V160[1.55], I161[1.56], F195[2.65], D198[2.68], A199[2.69]
	-13.1	F143[1.38], L144[1.39], I147[1.42], T386[7.41], S389[7.44], F390[7.45], F393[7.48], L396[7.51], M397[7.52], I400[7.55]
	-12.6	L279[4.55], F280[4.56], P283[4.59], V287[4.63], Y291[4.67], Y305[5.35], I308[5.38], P312[5.42]
5vex_IC	-13.6	Y242[3.45], L245[3.48], I272[4.48], V276[4.52], F280[4.56], I308[5.38], P312[5.42], F315[5.45]
	-13.6	L231[3.34], L232[3.35], Y235[3.38], R267[4.43], V270[4.46], A271[4.47], W274[4.50], G275[4.51], L278[4.54]
	-12.6	F324[5.54], I328[5.58], K351[6.40], L354[6.43], T355[6.44], P358[6.47], L359[6.48], T362[6.51], I366[6.55]
Glucagon-like peptide receptor (GLP-1R), active, Human 6b3j
6b3j_EC	-14.7	Y145[1.40], T149[1.44], A153[1.48], F156[1.51], S157[1.52], V160[1.55], F195[2.65], D198[2.68]
	-13.7	F367[6.56], M371, T378[7.33], L379[7.34], I382[7.37], K383[7.38], T386[7.41], F390[7.45]
6b3j_IC	-16.4	L232[3.35], Y235[3.38], R267[4.43], V270[4.46], S271[4.47], W274[4.50], G275[4.51], L278[4.54]
	-13.2	K351[6.40], L354[6.43], T355[6.44], P358[6.47], T386[7.41], S389[7.44], F390[7.45], M397[7.52], L401[7.56]
	-12.6	K346[6.35], L349[6.38], A350[6.39], T353[6.42], L354[6.43], I366[6.55], F367[6.56], M371, T386[7.41]
	-12.3	L154[1.49], S157[1.52], A158[1.53], I161[1.56], L396[7.51], I400[7.55], C403[7.58], F404[7.59]