Ligand clusters for UniProt code Q3JRA0

Ligand clusters for Q3JRA0: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei (strain 1710b)

		Top 6 (of 8) ligand clusters Cluster 1. 19 ligand types 56 ligands Cluster 2. 15 ligand types 28 ligands Cluster 3. 4 ligand types 5 ligands Cluster 4. 3 ligand types 4 ligands Cluster 5. 2 ligand types 3 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 6mwjA

Structures

PDB		Schematic diagram
6mwjA
6mwiA
6mwfA
3f0gA
6nmoA
		more ...

Cluster 1 contains 19 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 29 PDB codes: 3f0d(A), 3f0e(A), 3f0f(A), 3f0g(A), 3ieq(A), 3jvh(A), 3k14(A), 3k2x(A), 3ke1(A), 3mbm(A), 3p0z(A), 3p10(A), 3qhd(A), 6mwf(A), 6mwi(A), 6mwj(A), 6mwk(A), 6nmo(A), 6v3m(A).
		2. Ligand: AZM × 1 acetazolamide 5-Acetamido-1,3,4-Thiadiazole-2-Sulfonamide PDB code: 6mwj(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 3f0f(A).
		4. Ligand: SFY × 1 sulfapyridine 4-Amino-N-(Pyridin-2-Yl)benzenesulfonamide PDB code: 6mwf(A).
		5. Ligand: CTN × 4 4-Amino-1-Beta-D-Ribofuranosyl-2(1h)-Pyrimidinone PDB codes: 3p0z(A), 3p10(A), 3qhd(A),
		6. Ligand: 535 × 3 Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]thiazole- 2-Carboxylate PDB codes: 3k14(A),
		7. Ligand: HHV × 2 5-[(Pyridin-3-Ylmethyl)amino]-1h-Pyrazole-4-Carboxamide PDB codes: 3jvh(A),
		8. Ligand: I5A × 2 5'-Deoxy-5'-Iodocytidine PDB codes: 3k2x(A),
		9. Ligand: MSR × 2 4-(1h-Imidazol-1-Yl)phenol PDB codes: 3p0z(A), 3qhd(A).
		10. Ligand: __C × 2 PDB codes: 3ieq(A),
		11. Ligand: 717 × 1 Imidazo[2,1-B][1,3]thiazol-6-Ylmethanol PDB code: 3mbm(A).
		12. Ligand: 795 × 1 2-(Pyridin-3-Yl)-1,3-Thiazole-4-Carbaldehyde PDB code: 3qhd(A).
		13. Ligand: 829 × 1 5'-Deoxy-5'-[(Pyridin-4-Ylcarbonyl)amino]cytidine PDB code: 3ke1(A).
		14. Ligand: C5P × 1 Cytidine-5'-Monophosphate PDB code: 3f0g(A).
		15. Ligand: F69 × 1 (2-Thiophen-2-Ylphenyl)methanol PDB code: 3p10(A).
		16. Ligand: K4Y × 1 4-Amino-N-(6-Methoxypyrimidin-4-Yl)benzene-1- Sulfonamide PDB code: 6mwk(A).
		17. Ligand: MLI × 1 Malonate ion PDB code: 6nmo(A).
		18. Ligand: QOG × 1 5-{[(Propan-2-Yl)carbamoyl]amino}-1,3,4-Thiadiazole-2- Sulfonamide PDB code: 6v3m(A).
_Cl		19. Metal: _CL × 1 PDB code: 3qhd(A).

Cluster 2 contains 15 ligand types

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Ligand		Description
		1. Ligand: DMS × 6 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6mwf(A), 6mwi(A), 6mwj(A), 6mwk(A), 6nmo(A), 6v3m(A).
		2. Ligand: SFY × 1 sulfapyridine 4-Amino-N-(Pyridin-2-Yl)benzenesulfonamide PDB code: 6mwf(A).
		3. Ligand: CTN × 4 4-Amino-1-Beta-D-Ribofuranosyl-2(1h)-Pyrimidinone PDB codes: 3p0z(A), 3p10(A), 3qhd(A),
		4. Ligand: 535 × 3 Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]thiazole- 2-Carboxylate PDB codes: 3k14(A),
		5. Ligand: HHV × 2 5-[(Pyridin-3-Ylmethyl)amino]-1h-Pyrazole-4-Carboxamide PDB codes: 3jvh(A),
		6. Ligand: I5A × 2 5'-Deoxy-5'-Iodocytidine PDB codes: 3k2x(A),
		7. Ligand: __C × 2 PDB codes: 3ieq(A),
		8. Ligand: 717 × 1 Imidazo[2,1-B][1,3]thiazol-6-Ylmethanol PDB code: 3mbm(A).
		9. Ligand: 829 × 1 5'-Deoxy-5'-[(Pyridin-4-Ylcarbonyl)amino]cytidine PDB code: 3ke1(A).
		10. Ligand: C5P × 1 Cytidine-5'-Monophosphate PDB code: 3f0g(C).
		11. Ligand: CYT × 1 6-Aminopyrimidin-2(1h)-One PDB code: 3mbm(A).
		12. Ligand: K4Y × 1 4-Amino-N-(6-Methoxypyrimidin-4-Yl)benzene-1- Sulfonamide PDB code: 6mwk(A).
		13. Ligand: MSR × 1 4-(1h-Imidazol-1-Yl)phenol PDB code: 3qhd(B).
		14. Ligand: QMS × 1 N-(Quinolin-8-Yl)methanesulfonamide PDB code: 6nmo(A).
		15. Ligand: QOG × 1 5-{[(Propan-2-Yl)carbamoyl]amino}-1,3,4-Thiadiazole-2- Sulfonamide PDB code: 6v3m(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 3k14(A),
		2. Ligand: MLA × 1 Malonic acid PDB code: 6mwk(A).
		3. Ligand: MLI × 1 Malonate ion PDB code: 6nmo(A).
		4. Ligand: MLT × 1 D-Malate PDB code: 6v3m(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3jvh(A),
		2. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 3mbm(A).
		3. Ligand: MLI × 1 Malonate ion PDB code: 6nmo(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 6mwf(A), 6mwi(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6v3m(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6mwk(A).