Ligand clusters for UniProt code P21836

Ligand clusters for P21836: Acetylcholinesterase from Mus musculus

		Top 6 (of 27) ligand clusters Cluster 1. 71 ligand types 115 ligands Cluster 2. 23 ligand types 120 ligands Cluster 3. 6 ligand types 52 ligands Cluster 4. 6 ligand types 8 ligands Cluster 5. 6 ligand types 21 ligands Cluster 6. 5 ligand types 5 ligands
Representative protein: 4bc0A

Structures

PDB		Schematic diagram
4bc0A
2jgjA
2jgeA
3dl7A
2jezA
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Cluster 1 contains 71 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 2ha4(A), 2ha5(A).
		2. Ligand: ACH × 2 acetylcholine Acetylcholine PDB codes: 2ha4(A),
		3. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 1n5r(A), 2ha6(A).
		4. Ligand: CHT × 2 choline Choline ion PDB codes: 2ha3(A),
		5. Ligand: CVI × 2 gentian violet cation Crystal violet PDB codes: 5ov9(A),
		6. Ligand: DME × 2 decamethonium Decamethonium ion PDB codes: 1maa(A), 2xud(A).
		7. Ligand: SCK × 2 succinylcholine 2,2'-[(1,4-Dioxobutane-1,4-Diyl)bis(oxy)]bis(n,N,N- Trimethylethanaminium) PDB codes: 2ha2(A), 2ha6(A).
		8. Ligand: SCU × 1 N,N,N-Trimethyl-2-[(4-Oxobutanoyl)oxy]ethanaminium PDB code: 2ha2(A).
		9. Ligand: ETM × 3 2-(Trimethylammonium)ethyl thiol PDB codes: 2ha5(A), 2ha7(A).
		10. Ligand: BUA × 1 Butanoic acid PDB code: 2ha7(A).
		11. Ligand: CO3 × 4 Carbonate ion PDB codes: 1j06(A), 1j07(A), 2gyv(A), 2gyw(A).
		12. Ligand: EDO × 1 1,2-Ethanediol PDB code: 1ku6(A).
		13. Ligand: AT3 × 1 Acetylthiocholine PDB code: 2ha5(A).
		14. Ligand: CHH × 1 N,N,N-Trimethyl-4-Oxopentan-1-Aminium PDB code: 2ha0(A).
		15. Ligand: NWA × 1 4,4-Dihydroxy-N,N,N-Trimethylpentan-1-Aminium PDB code: 2ha0(A).
		16. Ligand: BCH × 1 2-(Butyrylsulfanyl)-N,N,N-Trimethylethanaminium PDB code: 2ha7(A).
		17. Ligand: ATJ × 1 Ethyl hydrogen phosphonate PDB code: 2c0p(A).
		18. Ligand: AE3 × 1 2-(2-Ethoxyethoxy)ethanol PDB code: 1j06(A).
		19. Ligand: NTJ × 1 R-Ethyl n,N-Dimethylphosphonamidate PDB code: 2c0q(A).
		20. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 2h9y(A).
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Cluster 2 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: PE8 × 1 polyethylene glycol 400 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-Diol PDB code: 4b83(A).
		2. Ligand: P4G × 1 1-Ethoxy-2-(2-Ethoxyethoxy)ethane PDB code: 2gyu(A).
		3. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 1n5r(A).
		4. Ligand: P3G × 1 3,6,9,12,15-Pentaoxaheptadecane PDB code: 2gyv(A).
		5. Ligand: P6G × 50 Hexaethylene glycol PDB codes: 1j06(A), 1j07(A), 1n5m(A), 1n5r(A), 1q83(A), 1q84(A), 2c0q(A), 2gyu(A), 2gyw(A), 2h9y(A), 2ha0(A), 2ha2(A), 2ha3(A), 2ha4(A), 2ha5(A), 2ha6(A), 2ha7(A), 2jey(A), 2jez(A), 2jf0(A), 2jge(A), 2jgf(A), 2jgj(A), 2jgk(A), 2jgl(A), 2whp(A), 2whq(A), 2wls(A), 2wu3(A), 2wu4(A), 2xud(A), 2xuf(A), 2xug(A), 2xui(A), 2xuj(A), 2xuo(A), 2xup(A), 2xuq(A), 3dl4(A), 3dl7(A), 4arb(A), 4b7z(A), 4b81(A), 4b84(A), 4b85(A), 5ehn(A), 5ehq(A), 5ehz(A), 5eih(A), 5fpp(A).
		6. Ligand: PEG × 18 Di(hydroxyethyl)ether PDB codes: 2y2u(A), 2y2v(A), 4a23(A), 4ara(A), 4arb(A), 4b7z(A), 4b80(A), 4b81(A), 4b82(A), 4b83(A), 4b85(A),
		7. Ligand: PE4 × 7 2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}- Ethoxy)-Ethoxy]-Ethoxy}-Ethanol PDB codes: 2whr(A), 3zlt(A), 3zlv(A), 4a23(A), 5fum(A), 5ov9(A), 6td2(A).
		8. Ligand: PG4 × 5 Tetraethylene glycol PDB codes: 3dl7(A), 4b83(A), 5eia(A), 5eie(A),
		9. Ligand: PG0 × 5 2-(2-Methoxyethoxy)ethanol PDB codes: 3zlt(A), 5foq(A), 5ov9(A), 6td2(A).
		10. Ligand: SO4 × 5 Sulfate ion PDB codes: 4a16(A), 4bc0(A), 4bc1(A),
		11. Ligand: 1KA × 4 (2-Hydroxyethoxy)acetaldehyde PDB codes: 3zlu(A), 3zlv(A),
		12. Ligand: AE3 × 3 2-(2-Ethoxyethoxy)ethanol PDB codes: 5fpp(A), 5ov9(A).
		13. Ligand: P15 × 3 2,5,8,11,14,17-Hexaoxanonadecan-19-Ol PDB codes: 2y2v(A), 3zlu(A), 5foq(A).
		14. Ligand: P3G × 2 3,6,9,12,15-Pentaoxaheptadecane PDB codes: 4b84(A),
		15. Ligand: P4G × 2 1-Ethoxy-2-(2-Ethoxyethoxy)ethane PDB codes: 2jgl(A), 2whr(A).
		16. Ligand: PE3 × 3 3,6,9,12,15,18,21,24,27,30,33,36,39- Tridecaoxahentetracontane-1,41-Diol PDB codes: 4btl(A),
		17. Ligand: 1PG × 2 2-(2-{2-[2-(2-Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)- Ethanol PDB codes: 6fsd(A), 6fse(A).
		18. Ligand: PGE × 2 Triethylene glycol PDB codes: 2whq(A),
		19. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 4ara(A).
		20. Ligand: 7PG × 1 2,5,8,11,14,17,20,23-Octaoxapentacosan-25-Ol PDB code: 5eie(A).
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Cluster 3 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 36 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1ku6(A), 1maa(A), 1mah(A), 1q84(A), 2gyv(A), 2jgi(A), 2jgj(A), 2jgk(A), 2jgl(A), 2jgm(A), 2whp(A), 2whq(A), 2whr(A), 2wls(A), 2wu3(A), 2wu4(A), 2xuf(A), 2xug(A), 2xup(A), 2y2u(A), 2y2v(A), 4ara(A), 4arb(A), 4b7z(A), 4b80(A), 4b81(A), 4b82(A), 4b83(A), 4btl(A), 5ehn(A), 5ehz(A), 5eia(A), 5foq(A), 5fpp(A), 5ov9(A), 6td2(A).
		2. Ligand: FUC × 1 Alpha-L-Fucopyranose PDB code: 2ha2(A).
		3. Ligand: NAG-FUC × 12 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 1j06(A), 1j07(A), 1n5m(A), 1n5r(A), 2gyu(A), 2gyw(A), 2h9y(A), 2ha0(A), 2ha3(A), 2ha5(A), 2xui(A), 5ehq(A).
		4. Ligand: NAG-FUL × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUL=Beta-L-Fucopyranose. PDB code: 1q83(A).
		5. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 2ha2(A).
		6. Ligand: NAG-NAG-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 5eie(A).

Cluster 4 contains 6 ligand types

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Ligand		Description
		1. Ligand: BCH × 1 2-(Butyrylsulfanyl)-N,N,N-Trimethylethanaminium PDB code: 2ha7(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 4b83(A), 5ov9(A), 6td2(A).
		3. Ligand: PE3 × 1 3,6,9,12,15,18,21,24,27,30,33,36,39- Tridecaoxahentetracontane-1,41-Diol PDB code: 4btl(A).
		4. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4a23(A).
		5. Ligand: PG0 × 1 2-(2-Methoxyethoxy)ethanol PDB code: 5fum(A).
		6. Ligand: PGE × 1 Triethylene glycol PDB code: 4b80(A).

Cluster 5 contains 6 ligand types

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Ligand		Description
		1. Ligand: PEG × 12 Di(hydroxyethyl)ether PDB codes: 2y2u(A), 2y2v(A), 4a23(A), 4ara(A), 4arb(A), 4b7z(A), 4b80(A), 4b81(A), 4b82(A), 4b83(A), 4b85(A), 6fse(A).
		2. Ligand: PG0 × 4 2-(2-Methoxyethoxy)ethanol PDB codes: 3zlt(A), 5foq(A), 5fum(A), 6td2(A).
		3. Ligand: 1KA × 2 (2-Hydroxyethoxy)acetaldehyde PDB codes: 3zlu(A), 3zlv(A).
		4. Ligand: ETX × 1 2-Ethoxyethanol PDB code: 5ov9(A).
		5. Ligand: P3G × 1 3,6,9,12,15-Pentaoxaheptadecane PDB code: 4b84(A).
		6. Ligand: PE3 × 1 3,6,9,12,15,18,21,24,27,30,33,36,39- Tridecaoxahentetracontane-1,41-Diol PDB code: 4btl(A).

Cluster 6 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1maa(A).
		2. Ligand: SCK × 1 succinylcholine 2,2'-[(1,4-Dioxobutane-1,4-Diyl)bis(oxy)]bis(n,N,N- Trimethylethanaminium) PDB code: 2ha6(A).
		3. Ligand: AT3 × 1 Acetylthiocholine PDB code: 2ha5(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4btl(A).
		5. Ligand: SO3 × 1 Sulfite ion PDB code: 2xup(A).