Ligand clusters for UniProt code P22303

Ligand clusters for P22303: Acetylcholinesterase from Homo sapiens

		Top 6 (of 23) ligand clusters Cluster 1. 31 ligand types 58 ligands Cluster 2. 6 ligand types 38 ligands Cluster 3. 3 ligand types 13 ligands Cluster 4. 3 ligand types 8 ligands Cluster 5. 1 ligand type 12 ligands Cluster 6. 2 ligand types 4 ligands
Representative protein: 4bdtA

Structures

PDB		Schematic diagram
4bdtA
6o52A
6u3pA
1puvA
6u34A
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Cluster 1 contains 31 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 6o4w(A), 6o5v(A), 6o66(A), 6u34(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4ey5(A).
		3. Ligand: GNT × 1 galantamine (-)-Galanthamine PDB code: 4ey6(A).
		4. Ligand: HUP × 1 huperzine a Huperzine a PDB code: 4ey5(A).
		5. Ligand: HI6 × 8 4-(Aminocarbonyl)-1-[({2-[(E)-(Hydroxyimino) methyl]pyridinium-1-Yl}methoxy)methyl]pyridinium PDB codes: 5hf9(A), 6cqu(A), 6ntg(A), 6ntm(A), 6ntn(A), 6wuy(A), 6wv1(A), 6wvo(A).
		6. Ligand: DEP × 4 Diethyl phosphonate PDB codes: 5hf5(A), 5hf8(A), 5hf9(A), 5hfa(A).
		7. Ligand: L0S × 3 Methyl (r)-N-[(1e)-1-(Diethylamino)ethylidene]-P- Methylphosphonamidate PDB codes: 6nth(A), 6ntk(A), 6ntm(A).
		8. Ligand: LND × 3 4-Carbamoyl-1-(3-{2-[(E)-(Hydroxyimino)methyl]-1h- Imidazol-1-Yl}propyl)pyridin-1-Ium PDB codes: 6o5r(A), 6o5v(A), 6o66(A).
		9. Ligand: DFP × 2 Diisopropylphosphono group PDB codes: 1puv(A), 1puw(A).
		10. Ligand: E20 × 2 1-Benzyl-4-[(5,6-Dimethoxy-1-Indanon-2-Yl) methyl]piperidine PDB codes: 4ey7(A), 6o4w(A).
		11. Ligand: EBW × 2 4-(5-{4-[Dimethyl(prop-2-Enyl)ammonio]phenyl}-3- Oxopentyl)-N,N-Dimethyl-N-Prop-2-Enylbenzenaminium PDB codes: 6o50(A), 6o52(A).
		12. Ligand: EFS × 2 Ethyl dihydrogen phosphate PDB codes: 5hf6(A), 5hf8(A).
		13. Ligand: ELT × 2 Ethoxy-~{N},~{N}-Dimethyl-Phosphonamidic acid PDB codes: 6wuv(A), 6wuy(A).
		14. Ligand: FP1 × 2 N-Hydroxy-1-(1-Methylpyridin-2(1h)-Ylidene)methanamine PDB codes: 5hfa(A),
		15. Ligand: L1M × 2 Ethyl (r)-N-[(1e)-1-(Diethylamino) ethylidene]phosphonamidate PDB codes: 6ntg(A), 6ntl(A).
		16. Ligand: L2Y × 2 (S)-N-[(1e)-1-(Diethylamino)ethylidene]-P- Methylphosphonamidic fluoride PDB codes: 6ntn(A), 6nto(A).
		17. Ligand: UCJ × 2 Propan-2-Yl hydrogen (s)-Methylphosphonate PDB codes: 6wuz(A), 6wv1(A).
		18. Ligand: UCY × 2 (1s)-2,2-Dimethylcyclopentyl (r)-Methylphosphinate PDB codes: 6wvc(A), 6wvq(A).
		19. Ligand: 1YK × 1 Territrem b PDB code: 4m0f(A).
		20. Ligand: 1YL × 1 Dihydrotanshinone i PDB code: 4m0e(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 3 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 2x8b(A), 6wvp(A).
		2. Ligand: NAG-NAG-FUC × 30 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 1b41(A), 4ey4(A), 4ey5(A), 4ey6(A), 4ey7(A), 4m0e(A), 4m0f(A), 5hf5(A), 5hf6(A), 5hf8(A), 5hf9(A), 5hfa(A), 6cqu(A), 6f25(A), 6nea(A), 6ntg(A), 6nth(A), 6ntk(A), 6ntl(A), 6ntm(A), 6ntn(A), 6nto(A), 6o69(A), 6wuv(A), 6wuy(A), 6wuz(A), 6wv1(A), 6wvc(A), 6wvo(A), 6wvq(A).
		3. Ligand: NAG-NAG × 2 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1f8u(A), 3lii(A).
		4. Ligand: NAG-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 6wvp(A).
		5. Ligand: NAG-NAG-BMA-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 4ey8(A).
		6. Ligand: NAG-NAG-FUL × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUL=Beta-L-Fucopyranose. PDB code: 4bdt(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 6 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 6nea(A), 6ntk(A), 6wuv(A), 6wv1(A), 6wvc(A), 6wvq(A).
		2. Ligand: NAG-NAG-FUC × 6 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 6cqu(A), 6nth(A), 6ntl(A), 6ntm(A), 6ntn(A), 6nto(A).
		3. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 6f25(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: 7PE × 6 2-(2-(2-(2-(2-(2-Ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol PDB codes: 6cqu(A), 6ntk(A), 6ntl(A), 6wv1(A), 6wvc(A), 6wvq(A).
		2. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 5fpq(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6nto(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 12 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1b41(A), 4ey8(A), 6cqu(A), 6f25(A), 6nea(A), 6ntg(A), 6nth(A), 6nto(A), 6wuv(A), 6wuy(A), 6wv1(A), 6wvq(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 6o4w(A), 6o50(A), 6o66(A).
		2. Ligand: NO3 × 1 Nitrate ion PDB code: 6o5v(A).