Ligand clusters for UniProt code P0A3G3

Ligand clusters for P0A3G3: Haloalkane dehalogenase from Rhodococcus sp.

		Top 6 (of 13) ligand clusters Cluster 1. 8 ligand types 15 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 3 ligand types 3 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 4kajA

Structures

PDB		Schematic diagram
4kajA
3g9xA
4kafA
3fwhA
5y2xA
		more ...

Cluster 1 contains 8 ligand types

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Ligand		Description
		1. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 3fwh(A), 3g9x(A).
_Cl		2. Metal: _CL × 5 PDB codes: 3fwh(A), 3g9x(A), 4hzg(A), 5y2x(A), 5y2y(A).
		3. Ligand: 1Q9 × 2 N-(2-Ethoxy-3,5-Dimethylbenzyl)-1h-Tetrazol-5-Amine PDB codes: 4kac(A), 4kaj(A).
		4. Ligand: OEH × 2 [9-[2-Carboxy-5-[2-[2-(6-Chloranylhexoxy) ethoxy]ethylcarbamoyl]phenyl]-6-(Dimethylamino) xanthen- 3-Ylidene]-Dimethyl-Azanium PDB codes: 6y7a(A), 6zcc(A).
		5. Ligand: 8LL × 1 5-(Dimethylamino)-~{N}-[2-(2-Hexoxyethoxy) ethyl]naphthalene-1-Sulfonamide PDB code: 5y2y(A).
		6. Ligand: ACT × 1 Acetate ion PDB code: 6zcc(A).
		7. Ligand: OEK × 1 4-[2-[2-(6-Chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3- (Dimethylamino)-6-(Dimethyl-L^{4}- Azanylidene)-10,10- Dimethyl-Anthracen-9-Yl]benzoic acid PDB code: 6y7b(A).
_Na		8. Metal: _NA × 1 PDB code: 4kaa(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: 8LL × 1 5-(Dimethylamino)-~{N}-[2-(2-Hexoxyethoxy) ethyl]naphthalene-1-Sulfonamide PDB code: 5y2y(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6y7a(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4kaj(A).
_Na		3. Metal: _NA × 1 PDB code: 4kaj(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4kaj(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 3fwh(A), 3g9x(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4kaj(A).