Ligand clusters for UniProt code P9WMC1

Ligand clusters for P9WMC1: HTH-type transcriptional regulator EthR from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 9) ligand clusters Cluster 1. 57 ligand types 66 ligands Cluster 2. 3 ligand types 6 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 2 ligand types 8 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 5mymC

Structures

PDB		Schematic diagram
5mymC
5ezhA
5ezgA
1t56A
5nioA
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Cluster 1 contains 57 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3q0w(A), 6ho4(A).
		2. Ligand: ZLD × 1 linezolid N-{[(5s)-3-(3-Fluoro-4-Morpholin-4-Ylphenyl)-2-Oxo-1,3- Oxazolidin-5-Yl]methyl}acetamide PDB code: 5nz0(A).
		3. Ligand: 5T4 × 2 ~{N}-[(1-Pyrimidin-2-Ylpiperidin-4-Yl) methyl]pyrrolidine-1-Carboxamide PDB codes: 5ezg(A),
		4. Ligand: 5TO × 2 3-Cyclopentyl-1-Pyrrolidin-1-Yl-Propan-1-One PDB codes: 5f1j(A),
		5. Ligand: 5TT × 2 ~{N}-Methyl-1-(4-Piperidin-1-Ylphenyl)methanamine PDB codes: 5f27(A),
		6. Ligand: 841 × 2 ~{N}-[(1-Pyridin-2-Ylpiperidin-4-Yl)methyl]pyrrolidine- 1-Carboxamide PDB codes: 5ezh(A),
		7. Ligand: CNS × 2 Hexadecyl octanoate PDB codes: 1u9n(A), 1u9o(A).
		8. Ligand: DIO × 2 1,4-Diethylene dioxide PDB codes: 1t56(A),
		9. Ligand: J6W × 2 (5-Methyl-1-Benzothiophen-2-Yl)methanol PDB codes: 5mwo(A),
		10. Ligand: P87 × 2 3-[(3s)-Oxolan-3-Yl]-1-(Pyrrolidin-1-Yl)propan-1-One PDB codes: 5j1y(A),
		11. Ligand: 0MN × 1 N-[4-(1,3-Benzothiazol-2-Yl)phenyl]-2-(3- Methoxyphenoxy)acetamide PDB code: 4dw6(A).
		12. Ligand: 2B2 × 1 4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3- Trifluoropropyl)benzamide PDB code: 4m3b(A).
		13. Ligand: 2B3 × 1 4-(2-{[(Propylsulfonyl)amino]methyl}-1,3-Thiazol-4-Yl)- N-(3,3,3-Trifluoropropyl)benzamide PDB code: 4m3e(A).
		14. Ligand: 2D1 × 1 N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl) benzenesulfonamide PDB code: 4m3f(A).
		15. Ligand: 2G1 × 1 4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3- Trifluoropropyl)benzenesulfonamide PDB code: 4m3g(A).
		16. Ligand: 2H2 × 1 4-{3-[(Phenylsulfonyl)amino]prop-1-Yn-1-Yl}-N-(3,3,3- Trifluoropropyl)benzamide PDB code: 4m3d(A).
		17. Ligand: 3SE × 1 4,4,4-Trifluoro-1-{4-[3-(1,3-Thiazol-2-Yl)-1,2,4- Oxadiazol-5-Yl]piperidin-1-Yl}butan-1-One PDB code: 3sdg(A).
		18. Ligand: 3SF × 1 5,5,5-Trifluoro-1-{4-[3-(1,3-Thiazol-2-Yl)-1,2,4- Oxadiazol-5-Yl]piperidin-1-Yl}pentan-1-One PDB code: 3sfi(A).
		19. Ligand: 5T0 × 1 3-[1-[4-(Methylaminomethyl)phenyl]piperidin-4-Yl]-1- Pyrrolidin-1-Yl-Propan-1-One PDB code: 5eyr(A).
		20. Ligand: 5TB × 1 3-Cyclopentyl-1-[3-[4-(Methylaminomethyl)phenyl]-1,3- Diazinan-1-Yl]propan-1-One PDB code: 5f04(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4dw6(A).
		2. Ligand: SO4 × 4 Sulfate ion PDB codes: 5nim(A), 5nio(A), 5niz(A), 5nj0(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5nz0(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4dw6(A), 5f04(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5mym(C).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 6 Sulfate ion PDB codes: 5ezg(A), 5ezh(A), 5f04(A), 5f0c(A), 5f0f(A), 5niz(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5mwo(A), 5mxk(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5f04(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5f0c(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1t56(A).