Ligand clusters for UniProt code P58154

Ligand clusters for P58154: Acetylcholine-binding protein from Lymnaea stagnalis

		Top 6 (of 21) ligand clusters Cluster 1. 38 ligand types 60 ligands Cluster 2. 37 ligand types 58 ligands Cluster 3. 3 ligand types 8 ligands Cluster 4. 6 ligand types 22 ligands Cluster 5. 2 ligand types 13 ligands Cluster 6. 2 ligand types 19 ligands
Representative protein: 4zk1A

Structures

PDB		Schematic diagram
4zk1A
5afkA
5afhA
5afnA
5aflA
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Cluster 1 contains 38 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5afk(A), 5afm(A).
		2. Ligand: IM4 × 2 imidacloprid (2e)-1-[(6-Chloropyridin-3-Yl)methyl]-N- Nitroimidazolidin-2-Imine PDB codes: 2zju(A), 3wth(A).
		3. Ligand: ACH × 1 acetylcholine Acetylcholine PDB code: 3wip(A).
		4. Ligand: NCT × 1 nicotine (S)-3-(1-Methylpyrrolidin-2-Yl)pyridine PDB code: 1uw6(A).
		5. Ligand: L0B × 6 Alpha-Lobeline PDB codes: 5afh(A), 5afj(A), 5afk(A), 5afl(A), 5afm(A), 5afn(A).
		6. Ligand: 09P × 3 1-(5-Ethoxypyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8k(A), 4um1(A).
		7. Ligand: 09O × 2 1-(Pyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8j(B),
		8. Ligand: 09Q × 2 1-(5-Phenylpyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8l(A),
		9. Ligand: 09R × 2 1-(6-Bromopyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8m(A), 4um3(A).
		10. Ligand: 4QW × 2 3-{(4e)-4-[(1-Methyl-1h-Imidazol-5-Yl)methylidene]-3,4- Dihydro-2h-Pyrrol-5-Yl}pyridine PDB codes: 4zr6(A),
		11. Ligand: ACT × 2 Acetate ion PDB codes: 4nzb(G),
		12. Ligand: CT4 × 2 1-[(2-Chloro-1,3-Thiazol-5-Yl)methyl]-3-Methyl-2- Nitroguanidine PDB codes: 2zjv(A), 3wti(A).
		13. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 1i9b(A), 1ux2(A).
		14. Ligand: FN1 × 2 5-Fluoronicotine PDB codes: 5bp0(A),
		15. Ligand: IZN × 2 (4bs,6s)-6-Methoxy-1,4,6,7,9,10,12,13-Octahydro-3h,5h- Pyrano[4',3':3,4]pyrido[2,1-I]indol-3-One PDB codes: 4alx(A),
		16. Ligand: N1Y × 2 2-Chloro-5-{[(2e)-2-(Nitromethylidene)imidazolidin-1- Yl]methyl}pyridine PDB codes: 3wtl(A), 3wtm(A).
		17. Ligand: N2Y × 2 (2z)-1-[(6-Chloropyridin-3-Yl)methyl]imidazolidin-2- Imine PDB codes: 3wtn(A), 3wto(A).
		18. Ligand: SO4 × 2 Sulfate ion PDB codes: 3u8j(E), 4nzb(G).
		19. Ligand: TH4 × 2 {(2z)-3-[(6-Chloropyridin-3-Yl)methyl]-1,3-Thiazolidin- 2-Ylidene}cyanamide PDB codes: 3wtj(A), 3wtk(A).
		20. Ligand: 09S × 1 1-(6-Bromo-5-Ethoxypyridin-3-Yl)-1,4-Diazepane PDB code: 3u8n(A).
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Cluster 2 contains 37 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 5afm(A), 5afn(A), 7ndp(A).
		2. Ligand: IM4 × 2 imidacloprid (2e)-1-[(6-Chloropyridin-3-Yl)methyl]-N- Nitroimidazolidin-2-Imine PDB codes: 2zju(A), 3wth(A).
		3. Ligand: ACH × 1 acetylcholine Acetylcholine PDB code: 3wip(A).
		4. Ligand: NCT × 1 nicotine (S)-3-(1-Methylpyrrolidin-2-Yl)pyridine PDB code: 1uw6(A).
		5. Ligand: L0B × 6 Alpha-Lobeline PDB codes: 5afh(A), 5afj(A), 5afk(A), 5afl(A), 5afm(A), 5afn(A).
		6. Ligand: 09P × 3 1-(5-Ethoxypyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8k(A), 4um1(A).
		7. Ligand: 09O × 2 1-(Pyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8j(B),
		8. Ligand: 09R × 2 1-(6-Bromopyridin-3-Yl)-1,4-Diazepane PDB codes: 3u8m(A), 4um3(A).
		9. Ligand: 4QW × 2 3-{(4e)-4-[(1-Methyl-1h-Imidazol-5-Yl)methylidene]-3,4- Dihydro-2h-Pyrrol-5-Yl}pyridine PDB codes: 4zr6(A),
		10. Ligand: CT4 × 2 1-[(2-Chloro-1,3-Thiazol-5-Yl)methyl]-3-Methyl-2- Nitroguanidine PDB codes: 2zjv(A), 3wti(A).
		11. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 1i9b(A), 1ux2(A).
		12. Ligand: FN1 × 2 5-Fluoronicotine PDB codes: 5bp0(A),
		13. Ligand: IZN × 2 (4bs,6s)-6-Methoxy-1,4,6,7,9,10,12,13-Octahydro-3h,5h- Pyrano[4',3':3,4]pyrido[2,1-I]indol-3-One PDB codes: 4alx(A),
		14. Ligand: N1Y × 2 2-Chloro-5-{[(2e)-2-(Nitromethylidene)imidazolidin-1- Yl]methyl}pyridine PDB codes: 3wtl(A), 3wtm(A).
		15. Ligand: N2Y × 2 (2z)-1-[(6-Chloropyridin-3-Yl)methyl]imidazolidin-2- Imine PDB codes: 3wtn(A), 3wto(A).
		16. Ligand: SO4 × 2 Sulfate ion PDB codes: 3zdg(A), 3zdh(A).
		17. Ligand: TH4 × 2 {(2z)-3-[(6-Chloropyridin-3-Yl)methyl]-1,3-Thiazolidin- 2-Ylidene}cyanamide PDB codes: 3wtj(A), 3wtk(A).
		18. Ligand: 09Q × 1 1-(5-Phenylpyridin-3-Yl)-1,4-Diazepane PDB code: 3u8l(A).
		19. Ligand: 09S × 1 1-(6-Bromo-5-Ethoxypyridin-3-Yl)-1,4-Diazepane PDB code: 3u8n(A).
		20. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 3wip(A).
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Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4hqp(A), 5afj(A), 5afm(A), 5afn(A),
		2. Ligand: NAG-NAG-BMA-MAN × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 5afh(A), 5afk(A).
		3. Ligand: NAG-NAG-BMA-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 5afl(A).

Cluster 4 contains 6 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 7ndp(A).
		2. Ligand: PO4 × 12 Phosphate ion PDB codes: 4qaa(A), 4qab(A), 4qac(A), 4zjt(A), 4zk1(A), 4zru(A), 5bp0(A), 5j5f(A), 5j5g(A), 5j5h(A), 5j5i(A).
		3. Ligand: 1PE × 5 Pentaethylene glycol PDB codes: 3wip(A), 4alx(A), 4nzb(G).
		4. Ligand: 5VU × 2 N-(2,4-Difluorophenyl)pyrrolidine-1-Carboxamide PDB codes: 5afk(A),
		5. Ligand: 42R × 1 (3s)-6-(4-Bromophenyl)-3-Hydroxy-1,3-Dimethyl-2,3- Dihydropyridin-4(1h)-One PDB code: 5afj(A).
_Cd		6. Metal: _CD × 1 PDB code: 3wtn(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: PO4 × 12 Phosphate ion PDB codes: 4qaa(A), 4qab(A), 4qac(A), 4zjt(A), 4zk1(A), 4zru(A), 5bp0(A), 5j5f(A), 5j5g(A), 5j5h(A), 5j5i(A).
		2. Ligand: 5VU × 1 N-(2,4-Difluorophenyl)pyrrolidine-1-Carboxamide PDB code: 5afk(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 18 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1ux2(A), 3u8k(A), 3u8n(A), 3zdh(A), 4hqp(A), 4nzb(G), 4qaa(A), 4qab(A), 4qac(A), 4um3(A), 5bp0(A), 5j5f(A), 5j5g(A), 5j5h(A), 5j5i(A), 7ndp(A), 7ndv(A).
_Cd		2. Metal: _CD × 1 PDB code: 3wtn(A).