Ligand clusters for UniProt code A4IL26

Ligand clusters for A4IL26: Nitrite reductase OS=Geobacillus thermodenitrificans (strain NG80-2) GN=nirK PE=1 SV=1

		Top 6 (of 27) ligand clusters Cluster 1. 4 ligand types 13 ligands Cluster 2. 3 ligand types 18 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 3wkqA

Structures

PDB		Schematic diagram
3wkqA
4ysdA
4ystA
3x1nA
4ysrA
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 3wnj(A).
		2. Ligand: SO4 × 8 Sulfate ion PDB codes: 3x1e(A), 4yso(A), 4ysp(A), 4ysq(A), 4ysr(A), 4yss(A), 4yst(A), 4ysu(A).
		3. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3wkq(A), 3x1f(A).
_Cu		4. Metal: _CU × 2 PDB codes: 4ysd(A), 4zk8(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 4zk8(A).
		2. Ligand: MPD × 15 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3wkp(A), 3wkq(A), 3wni(A), 3wnj(A), 3x1e(A), 3x1f(A), 3x1g(A), 4yso(A), 4ysp(A), 4ysq(A), 4ysr(A), 4yss(A), 4yst(A), 4ysu(A), 4zk8(A).
_Cu		3. Metal: _CU × 2 PDB codes: 4ysd(A), 4zk8(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3x1e(A), 4zk8(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 3wnj(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3wkq(A).
		2. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4zk8(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 3wkq(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 4zk8(A).