Ligand clusters for UniProt code P9WIL5

Ligand clusters for P9WIL5: Pantothenate synthetase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 29) ligand clusters Cluster 1. 33 ligand types 85 ligands Cluster 2. 5 ligand types 11 ligands Cluster 3. 3 ligand types 3 ligands Cluster 4. 3 ligand types 9 ligands Cluster 5. 3 ligand types 16 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 3ivcA

Structures

PDB		Schematic diagram
3ivcA
1n2hA
1n2iA
3ivgA
1n2gA
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Cluster 1 contains 33 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 2a84(A).
		2. Ligand: PAF × 3 Pantoate PDB codes: 1n2b(A), 1n2e(A), 1n2j(A).
		3. Ligand: AMP × 2 Adenosine monophosphate PDB codes: 2a7x(A), 2a86(A).
		4. Ligand: BAL × 2 Beta-Alanine PDB codes: 1n2o(A), 2a86(A).
		5. Ligand: GOL × 15 glycerin Glycerol PDB codes: 1mop(A), 1n2g(A), 2a7x(A), 2a84(A), 2a86(A), 3cov(A), 3imc(A), 3iob(A), 3isj(A), 3ivg(A), 4ddk(A), 4ef6(B), 4g5y(B).
_Mg		6. Metal: _MG × 1 PDB code: 1n2b(A).
		7. Ligand: PAJ × 2 Pantoyl adenylate PDB codes: 1n2h(A), 1n2i(A).
		8. Ligand: APC × 3 Diphosphomethylphosphonic acid adenosyl ester PDB codes: 1n2b(A), 1n2e(A), 1n2g(A).
		9. Ligand: SO4 × 13 Sulfate ion PDB codes: 1mop(A), 1n2h(A), 1n2i(A), 1n2j(A), 1n2o(A), 2a88(A), 3cov(A), 3imc(A), 3img(A), 3iob(A), 3iod(A), 3ioe(A).
		10. Ligand: EDO × 9 1,2-Ethanediol PDB codes: 3iub(A), 3iue(A), 4ddh(A), 4ef6(A), 4fzj(A),
		11. Ligand: 0OC × 3 N,N-Dimethylthiophene-3-Sulfonamide PDB codes: 4efk(A), 4g5y(B),
		12. Ligand: ATP × 2 Adenosine-5'-Triphosphate PDB codes: 4g5y(A),
		13. Ligand: BZ2 × 3 1-Benzofuran-2-Carboxylic acid PDB codes: 3ime(A), 3img(A),
		14. Ligand: BZ3 × 3 5-Methoxy-1h-Indole PDB codes: 3imc(A), 3img(A),
		15. Ligand: 0HO × 2 2,1,3-Benzothiadiazole-5-Carboxylic acid PDB codes: 4ddm(A),
		16. Ligand: 0JD × 2 (2s)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic acid PDB codes: 4de5(A), 4g5f(A).
		17. Ligand: FG4 × 2 {2-[(1-Benzofuran-2-Ylmethoxy)carbonyl]-5-Methoxy-1h- Indol-1-Yl}acetic acid PDB codes: 3ivc(A),
		18. Ligand: I2E × 2 3-(1,3-Benzodioxol-5-Yl)propanoic acid PDB codes: 4ef6(A),
		19. Ligand: 0HN × 1 1,3-Benzodioxole-5-Carboxylic acid PDB code: 4ddk(A).
		20. Ligand: 15N × 1 (2r)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic acid PDB code: 4g5f(A).
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Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 1n2g(A), 2a86(A), 3ivg(A), 3le8(A), 4fzj(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3iub(A), 4g5f(A).
		3. Ligand: FG2 × 1 5-Methoxy-N-[(5-Methylpyridin-2-Yl)sulfonyl]-1h-Indole- 2-Carboxamide PDB code: 3iub(A).
		4. Ligand: FG3 × 1 (5-Methoxy-2-{[(5-Methylpyridin-2-Yl) sulfonyl]carbamoyl}-1h-Indol-1-Yl)acetic acid PDB code: 3iue(A).
		5. Ligand: FG6 × 1 {2-[(1-Benzofuran-2-Ylsulfonyl)carbamoyl]-5-Methoxy-1h- Indol-1-Yl}acetic acid PDB code: 3ivx(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4ef6(A).
		2. Ligand: 0W1 × 1 1,3-Dimethyl-1h-Thieno[2,3-C]pyrazole-5-Carboxylic acid PDB code: 4fzj(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3iub(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: BAL × 1 Beta-Alanine PDB code: 2a86(A).
		2. Ligand: GOL × 6 glycerin Glycerol PDB codes: 1n2g(A), 3iue(A), 3ivc(A), 4ddm(B), 4ef6(B).
		3. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3ivx(A), 4ddh(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 10 glycerin Glycerol PDB codes: 3cov(A), 3cow(A), 3ime(A), 3iob(A), 3ioc(A), 3iod(A), 3ioe(A), 3ivg(A), 4ddm(A), 4de5(A).
		2. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 3iub(A), 3iue(A), 3ivx(A), 3le8(A), 4g5f(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 3img(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: 0OC × 1 N,N-Dimethylthiophene-3-Sulfonamide PDB code: 4efk(A).