Ligand clusters for UniProt code P23141

Ligand clusters for P23141: Liver carboxylesterase 1 from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 13 ligand types 17 ligands Cluster 2. 8 ligand types 10 ligands Cluster 3. 3 ligand types 27 ligands Cluster 4. 2 ligand types 15 ligands Cluster 5. 2 ligand types 10 ligands Cluster 6. 1 ligand type 10 ligands
Representative protein: 1mx1A

Structures

PDB		Schematic diagram
1mx1A
1mx5A
2dqyA
2hrqA
1yahA
		more ...

Cluster 1 contains 13 ligand types

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Ligand		Description
		1. Ligand: PLM × 2 palmitic acid Palmitic acid PDB codes: 2dqy(A), 2dqz(A).
		2. Ligand: BEZ × 1 benzoic acid Benzoic acid PDB code: 1yaj(A).
		3. Ligand: CTX × 1 tamoxifen (Z)-2-[4-(1,2)-Diphenyl-1-Butenyl)-Phenoxy]-N,N- Dimethylethanamine PDB code: 1ya4(A).
		4. Ligand: TCH × 1 taurocholic acid Taurocholic acid PDB code: 2dr0(A).
		5. Ligand: THA × 1 tacrine Tacrine PDB code: 1mx1(A).
		6. Ligand: WW2 × 3 Cyclohexyl (s)-Methylphosphonofluoridoate PDB codes: 3k9b(A),
		7. Ligand: COA × 2 Coenzyme a PDB codes: 2h7c(A),
		8. Ligand: EEE × 1 Ethyl acetate PDB code: 1yah(A).
		9. Ligand: GD7 × 1 (1r)-1,2,2-Trimethylpropyl (r)-Methylphosphinate PDB code: 2hrq(A).
		10. Ligand: HTQ × 1 Homotropine PDB code: 1mx5(A).
		11. Ligand: NLX × 1 (5a,17r)-4,5-Epoxy-3,14-Dihydroxy-17-Methyl-6-Oxo-17- (2-Propenyl)-Morphinanium PDB code: 1mx9(A).
		12. Ligand: NTJ × 1 R-Ethyl n,N-Dimethylphosphonamidate PDB code: 2hrr(A).
		13. Ligand: SMB × 1 2-Methylbutanoic acid PDB code: 1ya8(A).

Cluster 2 contains 8 ligand types

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Ligand		Description
		1. Ligand: BEZ × 1 benzoic acid Benzoic acid PDB code: 1yaj(A).
		2. Ligand: CHD × 1 cholic acid Cholic acid PDB code: 2dqy(A).
		3. Ligand: CTX × 1 tamoxifen (Z)-2-[4-(1,2)-Diphenyl-1-Butenyl)-Phenoxy]-N,N- Dimethylethanamine PDB code: 1ya4(A).
		4. Ligand: TCH × 1 taurocholic acid Taurocholic acid PDB code: 2dr0(A).
		5. Ligand: GLC-FRU × 2 GLC=Alpha-D-Glucopyranose, FRU=Beta-D-Fructofuranose. PDB codes: 2hrq(A), 2hrr(A).
		6. Ligand: HTQ × 2 Homotropine PDB codes: 1mx5(A), 2dqz(A).
		7. Ligand: EEE × 1 Ethyl acetate PDB code: 1yah(A).
		8. Ligand: MVB × 1 (1s,7s,8s,8ar)-1,2,3,7,8,8a-Hexahydro-7-Methyl-8-[2- [(2r,4r)-Tetrahydro-4-Hy droxy-6-Oxo-2h-Pyran- 2- Yl]ethyl]-1-Naphthalenol PDB code: 1ya8(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 15 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1mx1(A), 1mx5(A), 1mx9(A), 1ya4(A), 1ya8(A), 1yah(A), 1yaj(A), 2dqy(A), 2dqz(A), 2dr0(A), 2hrq(A), 2hrr(A), 4ab1(A), 5a7f(A), 5a7g(A).
		2. Ligand: SIA × 11 N-Acetyl-Alpha-Neuraminic acid PDB codes: 1mx1(A), 1mx5(A), 1ya4(A), 1ya8(A), 1yah(A), 1yaj(A), 2dqy(A), 2dqz(A), 2dr0(A), 2hrq(A), 2hrr(A).
		3. Ligand: NAG-NAG × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 2h7c(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 7 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1yah(A), 1yaj(A), 2dqy(A), 2dqz(A), 2dr0(A), 2hrq(A), 2hrr(A).
		2. Ligand: SIA × 8 N-Acetyl-Alpha-Neuraminic acid PDB codes: 1ya4(A), 1ya8(A), 1yah(A), 1yaj(A), 2dqy(A), 2dqz(A), 2dr0(A), 2hrq(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 9 Sulfate ion PDB codes: 1ya8(A), 1yah(A), 1yaj(A), 2dqy(A), 2dqz(A), 2dr0(A), 2h7c(A), 2hrq(A), 2hrr(A).
		2. Ligand: PO4 × 1 Phosphate ion PDB code: 5a7f(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 10 Sulfate ion PDB codes: 1ya4(A), 1ya8(A), 1yah(A), 1yaj(A), 2dqy(A), 2dqz(A), 2dr0(A), 2h7c(A), 2hrq(A), 2hrr(A).