Ligand clusters for UniProt code Q6P988

Ligand clusters for Q6P988: Palmitoleoyl-protein carboxylesterase NOTUM from Homo sapiens

		Top 6 (of 32) ligand clusters Cluster 1. 27 ligand types 39 ligands Cluster 2. 5 ligand types 27 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 4 ligand types 23 ligands Cluster 5. 3 ligand types 30 ligands Cluster 6. 5 ligand types 14 ligands
Representative protein: 4uyzD

Structures

PDB		Schematic diagram
4uyzD
4uz5A
4uz6A
4uywA
6t2kA
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Cluster 1 contains 27 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ML1 × 2 melatonin N-[2-(5-Methoxy-1h-Indol-3-Yl)ethyl]acetamide PDB codes: 6tr5(A),
		2. Ligand: CFF × 1 caffeine Caffeine PDB code: 6tv4(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 6r8p(A).
		4. Ligand: TEP × 1 theophylline Theophylline PDB code: 6tuz(A).
		5. Ligand: EDO × 9 1,2-Ethanediol PDB codes: 6r8r(A), 6tr7(A), 6tuz(A), 6zuv(A).
		6. Ligand: ASE × 2 N-Acetyl serotonin PDB codes: 6tr6(A),
		7. Ligand: HWH × 2 ~{N}-[2-(5-Fluoranyl-1~{h}-Indol-3-Yl)ethyl]ethanamide PDB codes: 6tr7(A),
		8. Ligand: SO4 × 2 Sulfate ion PDB codes: 6r8q(A), 6r8r(A).
		9. Ligand: B1J × 1 [1-(4-Chlorophenyl)-1,2,3-Triazol-4-Yl]methanol PDB code: 6zuv(A).
		10. Ligand: GU4-YYJ × 1 GU4=2,3,4,6-Tetra-O-Sulfonato-Alpha-D-Glucopyranose, YYJ=1,3,4,6-Tetra-O-Sulfo-Beta-D-Fructofuranose. PDB code: 4uz6(A).
		11. Ligand: JV5 × 1 ~{N}-(1~{h}-Benzotriazol-5-Yl)-2-(2-Methylphenoxy) ethanamide PDB code: 6r8q(A).
		12. Ligand: JV8 × 1 ~{N}-Isoquinolin-6-Yl-2-(2-Methylphenoxy)ethanamide PDB code: 6r8r(A).
		13. Ligand: JVB × 1 2-(2-Methylphenoxy)-~{N}-Pyridin-3-Yl-Ethanamide PDB code: 6r8p(A).
		14. Ligand: K4Q × 1 [(2~{s})-2-Azanyl-3-Oxidanylidene-Propyl] octanoate PDB code: 6zyf(A).
		15. Ligand: M9K × 1 2-(6-Chloranyl-7-Cyclopropyl-Thieno[3,2-D]pyrimidin-4- Yl)sulfanylethanoic acid PDB code: 6t2k(A).
		16. Ligand: M9N × 1 2-[[(4~{s})-5-Chloranyl-6-Methyl-1,2,3,4- Tetrahydrothieno[2,3-D]pyrimidin-4- Yl]sulfanyl]ethanoic acid PDB code: 6t2h(A).
		17. Ligand: MYZ × 1 Myristoleic acid PDB code: 4uzl(A).
		18. Ligand: PAM × 1 Palmitoleic acid PDB code: 4uzq(A).
		19. Ligand: PJK × 1 (3~{s})-1-[4-Chloranyl-3-(Trifluoromethyl) phenyl]pyrrolidine-3-Carboxylic acid PDB code: 6ysk(A).
		20. Ligand: PQH × 1 2-Methyl-5-(Trifluoromethyl)-1~{h}-Pyrrole-3-Carboxylic acid PDB code: 6yuy(A).
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Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: DMS × 6 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6r8r(A), 6tr6(A), 6ysk(A), 6yxi(A), 6zvl(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6tv4(A),
		3. Ligand: EDO × 9 1,2-Ethanediol PDB codes: 6t2h(A), 6t2k(A), 6tuz(A), 6ysk(A), 6yv0(A).
		4. Ligand: SO4 × 8 Sulfate ion PDB codes: 6r8p(A), 6r8q(A), 6tr7(A), 6tv4(A), 6yuy(A), 6zuv(A).
		5. Ligand: GU4-YYJ × 2 GU4=2,3,4,6-Tetra-O-Sulfonato-Alpha-D-Glucopyranose, YYJ=1,3,4,6-Tetra-O-Sulfo-Beta-D-Fructofuranose. PDB codes: 4uz6(A), 4uz9(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA × 2 PDB codes: 4uyz(A),
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6yuy(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6tv4(A).
		2. Ligand: SO4 × 16 Sulfate ion PDB codes: 6r8p(A), 6r8q(A), 6r8r(A), 6t2h(A), 6tr5(A), 6tr6(A), 6tv4(A), 6ysk(A), 6yuw(A), 6yuy(A), 6yv4(A), 6yxi(A), 6zuv(A).
		3. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 6t2k(A), 6tr7(A), 6tuz(A), 6zuv(A).
		4. Ligand: SGN-UAP × 1 SGN=2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Alpha-D-Glucopyranose, UAP=4-Deoxy-2-O-Sulfo-Alpha-L-Threo-Hex-4-Enopyranuronic acid. PDB code: 4uyw(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 28 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4uyu(A), 4uyw(A), 4uz1(A), 4uz5(A), 4uz6(A), 4uz9(A), 4uza(A), 4uzq(A), 6r8p(A), 6r8q(A), 6r8r(A), 6t2h(A), 6t2k(A), 6tr5(A), 6tr6(A), 6tr7(A), 6tuz(A), 6tv4(A), 6ysk(A), 6yuw(A), 6yuy(A), 6yv0(A), 6yv2(A), 6yv4(A), 6yxi(A), 6zuv(A), 6zvl(A), 6zyf(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6yv4(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6tuz(A).

Cluster 6 contains 5 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6r8r(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6r8p(A).
		3. Ligand: EDO × 9 1,2-Ethanediol PDB codes: 6t2h(A), 6tr6(A), 6tr7(A), 6tuz(A), 6yv0(A), 6zuv(A), 6zvl(A).
		4. Ligand: SO4 × 2 Sulfate ion PDB codes: 6tr5(A), 6tv4(A).
_Cl		5. Metal: _CL × 1 PDB code: 4uz7(A).