Ligand clusters for UniProt code Q9NAV8

Ligand clusters for Q9NAV8: Dehaloperoxidase A from Amphitrite ornata

		Top 6 (of 12) ligand clusters Cluster 1. 11 ligand types 47 ligands Cluster 2. 2 ligand types 5 ligands Cluster 3. 2 ligand types 21 ligands Cluster 4. 2 ligand types 6 ligands Cluster 5. 1 ligand type 22 ligands Cluster 6. 1 ligand type 4 ligands
Representative protein: 1ew6A

Structures

PDB		Schematic diagram
1ew6A
3mymA
1ewaA
3kuoA
4jyqA
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
		1. Ligand: 4CH × 1 parachlorophenol 4-Chlorophenol PDB code: 3lb3(A).
		2. Ligand: HEM × 27 Protoporphyrin IX containing fe PDB codes: 1ew6(A), 1ewa(A), 2qfk(A), 3dr9(A), 3k3u(A), 3kun(A), 3kuo(A), 3lb1(A), 3lb2(A), 3lb3(A), 3lb4(A), 3mou(A), 3mym(A), 3myn(A), 3o7n(A), 3oj1(A), 3ok5(A), 3ord(A), 4fh6(A), 4fh7(A), 4gzg(A), 4hsw(A), 4hsx(A), 4ilz(A), 4jac(A), 4kmw(A), 4kn3(A).
		3. Ligand: BML × 4 4-Bromophenol PDB codes: 3lb2(A), 3o7n(A), 3ok5(A), 4hsx(A).
		4. Ligand: HEM-CMO × 3 HEM=Protoporphyrin IX containing fe, CMO=Carbon monoxide. PDB codes: 4dwt(A), 4dwu(A), 4jyq(A).
		5. Ligand: HEM-OXY × 3 HEM=Protoporphyrin IX containing fe, OXY=Oxygen molecule. PDB codes: 2qfn(A), 4kjt(A), 5v5r(B).
		6. Ligand: TBP × 3 2,4,6-Tribromophenol PDB codes: 4fh6(A), 4fh7(A), 4ilz(A).
		7. Ligand: IOL × 2 4-Iodophenol PDB codes: 1ewa(A), 3lb1(A).
		8. Ligand: FPN × 1 4-Fluorophenol PDB code: 3lb4(A).
		9. Ligand: HEM-OXY-T6C × 1 HEM=Protoporphyrin IX containing fe, OXY=Oxygen molecule, T6C=2,4,6-Trichlorophenol. PDB code: 4kmv(A).
		10. Ligand: T6C × 1 2,4,6-Trichlorophenol PDB code: 4kmw(A).
		11. Ligand: T6C-T6C × 1 T6C=2,4,6-Trichlorophenol. PDB code: 4kn3(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4hsw(A), 4hsx(A), 5v5r(B).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4kjt(A), 4kmv(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 4ilz(A),
		2. Ligand: SO4 × 19 Sulfate ion PDB codes: 2qfk(A), 2qfn(A), 3k3u(A), 3kuo(A), 3lb1(A), 3lb2(A), 3lb3(A), 3lb4(A), 3mou(A), 3mym(A), 3myn(A), 3o7n(A), 3ord(A), 4dwt(A), 4dwu(A), 4fh7(A), 4hsx(A), 4ilz(A), 4jac(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: IPA × 1 isopropyl alcohol Isopropyl alcohol PDB code: 4ilz(A).
		2. Ligand: SO4 × 5 Sulfate ion PDB codes: 3k3u(A), 3mou(A), 3ok5(A), 4dwt(A), 4dwu(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 22 Sulfate ion PDB codes: 1ew6(A), 1ewa(A), 3k3u(A), 3kun(A), 3kuo(A), 3lb1(A), 3lb2(A), 3lb3(A), 3lb4(A), 3mou(A), 3mym(A), 3myn(A), 3o7n(A), 3oj1(A), 3ord(A), 4dwt(A), 4dwu(A), 4fh6(A), 4fh7(A), 4hsx(A), 4ilz(A), 4jac(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 4 Sulfate ion PDB codes: 3k3u(A), 3kuo(A), 4fh7(A), 4hsx(A).