Ligand clusters for UniProt code Q9NUW8

Ligand clusters for Q9NUW8: Tyrosyl-DNA phosphodiesterase 1 from Homo sapiens

		Top 6 (of 10) ligand clusters Cluster 1. 32 ligand types 45 ligands Cluster 2. 2 ligand types 10 ligands Cluster 3. 1 ligand type 23 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 7 ligands Cluster 6. 1 ligand type 8 ligands
Representative protein: 6dihA

Structures

PDB		Schematic diagram
6dihA
6djgA
6djiA
6dimA
6n0oA
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Cluster 1 contains 32 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: SPM × 7 Spermine PDB codes: 1rff(A), 1rfi(A), 1rg1(A), 1rg2(A), 1rgt(A), 1rgu(A), 1rh0(A).
		2. Ligand: OTS × 5 4-(2s-Amino-1-Hydroxyethyl)phenol PDB codes: 1rg1(A), 1rg2(A), 1rgt(A), 1rgu(A), 1rh0(A).
		3. Ligand: GHM × 2 Benzene-1,2,4-Tricarboxylic acid PDB codes: 6dhu(A), 6die(A).
		4. Ligand: GJP × 2 4-Hydroxyquinoline-3-Carboxylic acid PDB codes: 6dim(A), 6djd(A).
		5. Ligand: OTR × 2 4-(2r-Amino-1-Hydroxyethyl)phenol PDB codes: 1rg2(A), 1rgt(A).
		6. Ligand: GJS × 1 4-Hydroxybenzene-1,2-Dicarboxylic acid PDB code: 6dih(A).
		7. Ligand: GM7 × 1 4-Aminobenzene-1,2-Dicarboxylic acid PDB code: 6djj(A).
		8. Ligand: GNJ × 1 4-Hydroxy-8-Sulfoquinoline-3-Carboxylic acid PDB code: 6djg(A).
		9. Ligand: GNM × 1 8-Bromo-4-Oxo-1,4-Dihydroquinoline-3-Carboxylic acid PDB code: 6djh(A).
		10. Ligand: GNV × 1 4-Hydroxyquinoline-3,8-Dicarboxylic acid PDB code: 6djf(A).
		11. Ligand: GNY × 1 4-Hydroxy-8-(Propan-2-Yl)quinoline-3-Carboxylic acid PDB code: 6dje(A).
		12. Ligand: GOG × 1 3-Hydroxybenzene-1,2-Dicarboxylic acid PDB code: 6dji(A).
		13. Ligand: JTA × 1 4-Hydroxy-8-Nitroquinoline-3-Carboxylic acid PDB code: 6mj5(A).
		14. Ligand: K7A × 1 5-Hydroxypyrazine-2,3-Dicarboxylic acid PDB code: 6mz0(A).
		15. Ligand: K7D × 1 4-Oxo-8-Phenyl-1,4-Dihydroquinoline-3-Carboxylic acid PDB code: 6myz(A).
		16. Ligand: K8D × 1 4-(Methylamino)benzene-1,2-Dicarboxylic acid PDB code: 6n0r(A).
		17. Ligand: K8G × 1 4-Nitrobenzene-1,2-Dicarboxylic acid PDB code: 6n0o(A).
		18. Ligand: K8J × 1 4-Fluorobenzene-1,2-Dicarboxylic acid PDB code: 6n0d(A).
		19. Ligand: K8V × 1 4-[(4-Carboxybutanoyl)amino]benzene-1,2-Dicarboxylic acid PDB code: 6n19(A).
		20. Ligand: K8Y × 1 4-[(3-Carboxypropanoyl)amino]benzene-1,2-Dicarboxylic acid PDB code: 6n17(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6n0n(A).
		2. Ligand: EDO × 9 1,2-Ethanediol PDB codes: 6djg(A), 6dji(A), 6djj(A), 6mj5(A), 6myz(A), 6n0o(A), 6n0r(A), 6n17(A), 6w4r(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 23 1,2-Ethanediol PDB codes: 6dhu(A), 6die(A), 6dih(A), 6dim(A), 6djd(A), 6dje(A), 6djf(A), 6djh(A), 6dji(A), 6djj(A), 6mj5(A), 6myz(A), 6mz0(A), 6n0d(A), 6n0n(A), 6n0o(A), 6n0r(A), 6n17(A), 6n19(A), 6w4r(A), 6w7j(A), 6w7k(A), 6w7l(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6dhu(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 6dhu(A), 6die(A), 6dje(A), 6djh(A), 6dji(A), 6djj(A), 6mj5(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 8 1,2-Ethanediol PDB codes: 6dhu(A), 6dih(A), 6dim(A), 6djd(A), 6dje(A), 6dji(A), 6myz(A), 6n0r(A).