Ligand clusters for UniProt code Q2G2P5

Ligand clusters for Q2G2P5: Nickel-binding protein NikA from Staphylococcus aureus (strain NCTC 8325)

		Top 6 (of 21) ligand clusters Cluster 1. 4 ligand types 14 ligands Cluster 2. 2 ligand types 9 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 6 ligands Cluster 6. 2 ligand types 5 ligands
Representative protein: 3rqtA

Structures

PDB		Schematic diagram
3rqtA
4ofjA
4xkrA
4xkqA
4xkpA
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4xkr(A).
		2. Ligand: HIS × 11 PDB codes: 3rqt(A), 4ofj(A), 4xkn(A), 4xkp(A), 4xkq(A), 4xkr(A).
		3. Ligand: 41K × 1 (2r,4r)-2-Methyl-1,3-Thiazolidine-2,4-Dicarboxylic acid PDB code: 4xkr(A).
_Na		4. Metal: _NA × 1 PDB code: 4xkr(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4ofj(A), 4xkn(A), 4xkq(A), 4xkr(A).
		2. Ligand: EPE × 5 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 4ofj(A), 4xkn(A), 4xkp(A), 4xkq(A), 4xkr(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 3rqt(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 3rqt(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 4ofj(A), 4xkn(A), 4xkp(A), 4xkq(A), 4xkr(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 3rqt(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4ofj(A), 4xkp(A), 4xkq(A), 4xkr(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 3rqt(A).