Ligand clusters for UniProt code P13448

Ligand clusters for P13448: Nitrile hydratase subunit alpha from Rhodococcus erythropolis

		Top 6 (of 11) ligand clusters Cluster 1. 8 ligand types 46 ligands Cluster 2. 3 ligand types 5 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1ahjA

Structures

PDB		Schematic diagram
1ahjA
2cz6A
2cz7A
3x25A
3x28A
		more ...

Cluster 1 contains 8 ligand types

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Ligand		Description
_Fe		1. Metal: _FE × 28 PDB codes: 1ahj(A), 2ahj(A), 2cyz(A), 2cz0(A), 2cz1(A), 2cz6(A), 2cz7(A), 2d0q(A), 2qdy(A), 2zcf(A), 2zpb(A), 2zpe(A), 2zpf(A), 2zpg(A), 2zph(A), 2zpi(A), 3a8g(A), 3a8h(A), 3a8l(A), 3a8m(A), 3a8o(A), 3wvd(A), 3wve(A), 3x20(A), 3x24(A), 3x25(A), 3x26(A), 3x28(A).
		2. Ligand: BUA × 2 Butanoic acid PDB codes: 2cz0(A), 2cz1(A).
		3. Ligand: CYI × 2 Cyclohexyl isocyanide PDB codes: 2cz6(A), 2d0q(A).
		4. Ligand: DIO × 1 1,4-Diethylene dioxide PDB code: 2ahj(A).
		5. Ligand: TAN × 6 2,2-Dimethylpropanenitrile PDB codes: 3a8g(A), 3a8m(A), 3wvd(A), 3x20(A), 3x24(A), 3x25(A).
		6. Ligand: TB0 × 4 Tert-Butyl isocyanide PDB codes: 2zpf(A), 2zpg(A), 2zph(A), 2zpi(A).
		7. Ligand: TAY × 2 2,2-Dimethylpropanamide PDB codes: 3a8h(A), 3a8o(A).
		8. Ligand: IBN × 1 2-Methylpropan-1-Amine PDB code: 2qdy(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: TRS × 2 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 2zph(A), 2zpi(A).
_Mg		2. Metal: _MG × 2 PDB codes: 2d0q(A), 2zpe(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 2qdy(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2qdy(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2qdy(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2qdy(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2ahj(A).