Ligand clusters for UniProt code B1MHW4

Ligand clusters for B1MHW4: Phosphoribosylaminoimidazole-succinocarboxamide synthase from Mycobacteroides abscessus (strain ATCC 19977 / DSM 44196 / CIP 104536 / JCM 13569 / NCTC 13031 / TMC 1543)

		Top 6 (of 7) ligand clusters Cluster 1. 12 ligand types 16 ligands Cluster 2. 4 ligand types 23 ligands Cluster 3. 2 ligand types 4 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 3 ligands
Representative protein: 6yx3A

Structures

PDB		Schematic diagram
6yx3A
6yy9A
6yvqA
6yy6A
6yy7A
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: SO4 × 5 Sulfate ion PDB codes: 6yvq(A), 6yy6(A), 6yy7(A), 6yy8(A), 6yy9(A).
		2. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 6yx3(A).
		3. Ligand: PZK × 1 4-Azanyl-6-[1-[(3-Fluorophenyl)methyl]pyrazol-4- Yl]pyrimidine-5-Carbonitrile PDB code: 6yya(A).
		4. Ligand: Q0E × 1 4-Azanyl-6-[1-(Pyridin-3-Ylmethyl)pyrazol-4- Yl]pyrimidine-5-Carbonitrile PDB code: 6yy9(A).
		5. Ligand: Q0H × 1 4-Azanyl-6-[1-[[3,4-Bis(fluoranyl) phenyl]methyl]pyrazol-4-Yl]pyrimidine-5-Carbonitrile PDB code: 6yyd(A).
		6. Ligand: Q0N × 1 4-Azanyl-6-[1-(2-Morpholin-4-Ylethyl)pyrazol-4- Yl]pyrimidine-5-Carbonitrile PDB code: 6yy8(A).
		7. Ligand: Q0Q × 1 4-Azanyl-6-[1-[(1~{r})-1-Phenylethyl]pyrazol-4- Yl]pyrimidine-5-Carbonitrile PDB code: 6yyb(A).
		8. Ligand: Q0T × 1 Ethyl 2-[4-(6-Azanyl-5-Cyano-Pyrimidin-4-Yl)pyrazol-1- Yl]ethanoate PDB code: 6yy7(A).
		9. Ligand: Q0W × 1 4-Azanyl-6-(1-Ethylpyrazol-4-Yl)pyrimidine-5- Carbonitrile PDB code: 6yy6(A).
		10. Ligand: Q0Z × 1 5-Chloranyl-6-[1-[(3-Fluorophenyl)methyl]pyrazol-4- Yl]pyrimidin-4-Amine PDB code: 6yyc(A).
		11. Ligand: Q4H × 1 4-Azanylpyrimidine-5-Carbonitrile PDB code: 6z0r(A).
		12. Ligand: Q4K × 1 Ethyl (2~{s},3~{r})-3-(5-Bromanylpyridin-2-Yl)-2- Fluoranyl-3-Oxidanyl-Propanoate PDB code: 6z0q(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: SO4 × 12 Sulfate ion PDB codes: 6yvq(A), 6yx3(A), 6yy6(A), 6yy7(A), 6yy8(A), 6yy9(A), 6yya(A), 6yyb(A), 6yyc(A), 6yyd(A), 6z0q(A), 6z0r(A).
		2. Ligand: EDO × 9 1,2-Ethanediol PDB codes: 6yvq(A), 6yy6(A), 6yy7(A), 6yy8(A), 6yy9(A), 6yya(A), 6yyc(A), 6yyd(A), 6z0r(A).
		3. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3r9r(A).
_Cl		4. Metal: _CL × 1 PDB code: 3r9r(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 1 PDB code: 3r9r(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 6yvq(A), 6yy7(A), 6yy8(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 6yx3(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 6yx3(A), 6yya(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 6yvq(A), 6yya(A), 6z0r(A).