Ligand clusters for UniProt code Q7SIE4

Ligand clusters for Q7SIE4: Leucine--tRNA ligase from Thermus thermophilus

		Top 6 (of 20) ligand clusters Cluster 1. 3 ligand types 3 ligands Cluster 2. 3 ligand types 6 ligands Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 5 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 3 ligands
Representative protein: 2bteA

Structures

PDB		Schematic diagram
2bteA
2v0gA
2bytA
2v0cA
1h3nA

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: ANZ × 1 [(6-Amino-9h-Purin-9-Yl)-[5-Fluoro-1,3- Dihydro-1-Hydroxy-2,1-Benzoxaborole]- 4'Yl]methyl dihydrogen phosphate PDB code: 2v0c(A).
		2. Ligand: NVA-2AD × 1 NVA=Norvaline, 2AD=2'-Amino-2'-Deoxyadenosine. PDB code: 2bte(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 1h3n(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: LEU × 3 PDB codes: 2bte(A), 2byt(A), 2v0g(A).
		2. Ligand: LEU-LMS × 2 LMS=[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4- Dihydroxytetrahydro-2-Furanyl]methyl sulfamate. PDB codes: 1h3n(A), 2v0c(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 2bte(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 1h3n(A), 2v0c(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 5 Sulfate ion PDB codes: 1h3n(A), 2bte(A), 2byt(A), 2v0c(A), 2v0g(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 2bte(A), 2byt(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 2bte(A), 2byt(A), 2v0g(A).