Ligand clusters for UniProt code E0SRA9

Ligand clusters for E0SRA9: Ketol-acid reductoisomerase (NAD(P)(+)) OS=Ignisphaera aggregans (strain DSM 17230 / JCM 13409 / AQ1.S1) OX=583356 GN=ilvC PE=1 SV=1

		6 ligand clusters Cluster 1. 5 ligand types 9 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5e4rA

Structures

PDB		Schematic diagram
5e4rA
4xdzA

Cluster 1 contains 5 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 4 PDB codes: 4xdz(A), 5e4r(A),
		2. Ligand: 40E × 2 Oxo(propan-2-Ylamino)acetic acid PDB codes: 4xdz(A), 5e4r(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5e4r(A).
		4. Ligand: NAP × 1 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB code: 5e4r(A).
		5. Ligand: NDP × 1 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB code: 4xdz(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: 40E × 1 Oxo(propan-2-Ylamino)acetic acid PDB code: 4xdz(A).
		2. Ligand: NDP × 1 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB code: 4xdz(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 4xdz(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4xdz(A), 5e4r(A).

Cluster 5 contains 1 ligand type

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

Cluster 6 contains 1 ligand type

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