Ligand clusters for UniProt code Q8WSF8

Ligand clusters for Q8WSF8: Soluble acetylcholine receptor from Aplysia californica

		Top 6 (of 27) ligand clusters Cluster 1. 56 ligand types 83 ligands Cluster 2. 52 ligand types 78 ligands Cluster 3. 7 ligand types 20 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 5 ligand types 11 ligands Cluster 6. 4 ligand types 10 ligands
Representative protein: 5oajB

Structures

PDB		Schematic diagram
5oajB
4zjsA
2y56A
2y54A
5o8tA
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Cluster 1 contains 56 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ACH × 2 acetylcholine Acetylcholine PDB codes: 2xz5(A),
		2. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 3c79(A), 3c84(A).
		3. Ligand: QMR × 2 varenicline Varenicline PDB codes: 4aft(A), 5ain(A).
		4. Ligand: CU9 × 1 metocurine 6,6',7',12'-Tetramethoxy-2,2,2',2'- Tetramethyltubocuraran-2,2'-Diium PDB code: 3peo(A).
		5. Ligand: CWB × 1 granisetron 1-Methyl-N-[(1r,5s)-9-Methyl-9-Azabicyclo[3.3.1]nonan- 3-Yl]indazole-3-Carboxamide PDB code: 2yme(A).
		6. Ligand: GNT × 1 galantamine (-)-Galanthamine PDB code: 2ph9(A).
		7. Ligand: GOL × 1 glycerin Glycerol PDB code: 4frr(A).
		8. Ligand: IM4 × 1 imidacloprid (2e)-1-[(6-Chloropyridin-3-Yl)methyl]-N- Nitroimidazolidin-2-Imine PDB code: 3c79(A).
		9. Ligand: NCT × 1 nicotine (S)-3-(1-Methylpyrrolidin-2-Yl)pyridine PDB code: 5o87(A).
		10. Ligand: TKT × 1 tropisetron (3-Endo)-8-Methyl-8-Azabicyclo[3.2.1]oct-3-Yl 1h- Indole-3-Carboxylate PDB code: 2wnc(A).
		11. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 5o87(A), 5oaj(A), 6qkk(A), 6qqp(A).
		12. Ligand: SY9 × 5 Strychnine PDB codes: 2xys(A), 5o8t(A), 5oa0(A), 5oal(A), 5obg(A).
		13. Ligand: PO4 × 4 Phosphate ion PDB codes: 2ymd(A), 5o87(A), 6qkk(A), 6qqo(A).
		14. Ligand: SO4 × 4 Sulfate ion PDB codes: 2br8(A), 2y56(A), 2y57(A), 3gua(A).
		15. Ligand: 083 × 3 4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl) pyrimidine-2-Carboximidamide PDB codes: 4bfq(A),
		16. Ligand: MLK × 3 Methyllycaconitine PDB codes: 2byr(A), 3sh1(A), 3sio(A).
		17. Ligand: PG4 × 3 Tetraethylene glycol PDB codes: 2byn(A), 4zk4(A), 5kzu(A).
		18. Ligand: 40P × 2 Pinnatoxin a PDB codes: 4xhe(A),
		19. Ligand: 7KO × 2 6-Chloro-N~4~,N~4~-Bis[(pyridin-3-Yl)methyl]pyrimidine- 2,4-Diamine PDB codes: 5tsf(A), 5tvh(A).
		20. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 2br7(A), 5oad(A).
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Cluster 2 contains 52 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ACH × 2 acetylcholine Acetylcholine PDB codes: 2xz5(A),
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4frr(A), 6sh0(A).
		3. Ligand: QMR × 2 varenicline Varenicline PDB codes: 4aft(A), 5ain(A).
		4. Ligand: 7A9 × 1 palonosetron Palonosetron PDB code: 5lxb(A).
		5. Ligand: CU9 × 1 metocurine 6,6',7',12'-Tetramethoxy-2,2,2',2'- Tetramethyltubocuraran-2,2'-Diium PDB code: 3peo(A).
		6. Ligand: CWB × 1 granisetron 1-Methyl-N-[(1r,5s)-9-Methyl-9-Azabicyclo[3.3.1]nonan- 3-Yl]indazole-3-Carboxamide PDB code: 2yme(A).
		7. Ligand: GNT × 1 galantamine (-)-Galanthamine PDB code: 2ph9(A).
		8. Ligand: IM4 × 1 imidacloprid (2e)-1-[(6-Chloropyridin-3-Yl)methyl]-N- Nitroimidazolidin-2-Imine PDB code: 3c79(A).
		9. Ligand: NCT × 1 nicotine (S)-3-(1-Methylpyrrolidin-2-Yl)pyridine PDB code: 5o87(A).
		10. Ligand: TKT × 1 tropisetron (3-Endo)-8-Methyl-8-Azabicyclo[3.2.1]oct-3-Yl 1h- Indole-3-Carboxylate PDB code: 2wnc(A).
		11. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 5o87(A), 5oaj(A), 5obg(A), 6qkk(A), 6qqp(A).
		12. Ligand: SY9 × 6 Strychnine PDB codes: 2xys(A), 5o8t(A), 5oa0(A), 5oal(A), 5obg(A).
		13. Ligand: PO4 × 4 Phosphate ion PDB codes: 2ymd(A), 5o87(A), 6qkk(A), 6qqo(A).
		14. Ligand: MLK × 3 Methyllycaconitine PDB codes: 2byr(A), 3sh1(A), 3sio(A).
		15. Ligand: PG4 × 3 Tetraethylene glycol PDB codes: 2byn(A), 2pgz(A), 5brx(A).
		16. Ligand: 083 × 2 4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl) pyrimidine-2-Carboximidamide PDB codes: 4bfq(A),
		17. Ligand: 40P × 2 Pinnatoxin a PDB codes: 4xhe(A),
		18. Ligand: 4P0 × 2 1-[(1r,6r)-9-Azabicyclo[4.2.1]non-2-En-2-Yl]ethanone PDB codes: 4zjs(A), 6sh0(A).
		19. Ligand: 7KO × 2 6-Chloro-N~4~,N~4~-Bis[(pyridin-3-Yl)methyl]pyrimidine- 2,4-Diamine PDB codes: 5tsf(A), 5tvh(A).
		20. Ligand: 7LB × 2 (E,2s)-N-Methyl-5-(5-Phenoxy-3-Pyridyl)pent-4-En-2- Amine PDB codes: 5tvc(A),
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Cluster 3 contains 7 ligand types

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Ligand		Description
		1. Ligand: NAG × 13 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 2yme(A), 4dbm(A), 5lxb(A), 5o87(A), 5oa0(A), 5oad(A), 5oaj(A), 5tsf(A), 6qkk(A), 6qqo(A), 6qqp(A), 6sgv(A), 6sh0(A).
		2. Ligand: IPA × 1 isopropyl alcohol Isopropyl alcohol PDB code: 5o87(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 2y54(A), 2y56(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5oaj(B).
		5. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 5o8t(A).
		6. Ligand: NAG-NAG-BMA-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 2wnj(A).
		7. Ligand: NAG-NAG-BMA-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 2wn9(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 1 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB code: 3sio(A).
		2. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 3sh1(A).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2ymd(A), 4frr(A).
		2. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 5oaj(A), 5obg(A), 6qkk(A), 6qqp(A).
		3. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3sh1(A), 3t4m(A).
		4. Ligand: ACT × 1 Acetate ion PDB code: 6sh0(A).
		5. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3sio(A).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2ymd(A), 4frr(A).
		2. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 5o87(A), 5oaj(A), 6qkk(A), 6qqp(A).
		3. Ligand: MRD × 2 (4r)-2-Methylpentane-2,4-Diol PDB codes: 3sh1(A), 3t4m(A).
		4. Ligand: SO4 × 1 Sulfate ion PDB code: 3gua(A).