Ligand clusters for UniProt code Q8I302

Ligand clusters for Q8I302: Type II NADH:ubiquinone oxidoreductase from Plasmodium falciparum (isolate 3D7)

		Top 6 (of 7) ligand clusters Cluster 1. 4 ligand types 17 ligands Cluster 2. 4 ligand types 12 ligands Cluster 3. 2 ligand types 5 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 3 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 5jwaA

Structures

PDB		Schematic diagram
5jwaA
5jwcA
5jwbA

Cluster 1 contains 4 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 12 PDB codes: 5jwa(A), 5jwb(A), 5jwc(A),
		2. Ligand: FAD × 3 flavin adenine dinucleotide Flavin-Adenine dinucleotide PDB codes: 5jwa(A), 5jwb(A), 5jwc(A).
		3. Ligand: NAD × 1 Nicotinamide-Adenine-Dinucleotide PDB code: 5jwb(A).
		4. Ligand: TRT × 1 Fragment of triton X-100 PDB code: 5jwc(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: TRT × 8 Fragment of triton X-100 PDB codes: 5jwa(A), 5jwb(A), 5jwc(A),
		2. Ligand: ACT × 2 Acetate ion PDB codes: 5jwa(A),
		3. Ligand: 4W0 × 1 5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy) benzyl]phenyl}quinolin-4(1h)-One PDB code: 5jwc(A).
		4. Ligand: CXS × 1 3-Cyclohexyl-1-Propylsulfonic acid PDB code: 5jwb(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 4 Acetate ion PDB codes: 5jwa(A), 5jwb(A),
		2. Ligand: 4W0 × 1 5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy) benzyl]phenyl}quinolin-4(1h)-One PDB code: 5jwc(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: 4W0 × 1 5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy) benzyl]phenyl}quinolin-4(1h)-One PDB code: 5jwc(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: TRT × 3 Fragment of triton X-100 PDB codes: 5jwa(A), 5jwb(A), 5jwc(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 5jwa(A), 5jwb(A).