Ligand clusters for UniProt code M1GRN3

Ligand clusters for M1GRN3: Isoleucine 2-epimerase from Lactobacillus buchneri

		Top 6 (of 17) ligand clusters Cluster 1. 3 ligand types 4 ligands Cluster 2. 3 ligand types 4 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: 4ysnA

Structures

PDB		Schematic diagram
4ysnA
5wyfA
5wyaA
5ll3A

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: PLP × 2 pyridoxal phosphate Pyridoxal-5'-Phosphate PDB codes: 4ysn(A), 5ll3(A).
		2. Ligand: 7VO × 1 (2s,3s)-3-Methyl-2-[[2-Methyl-3-Oxidanyl-5- (Phosphonooxymethyl)pyridin-4- Yl]methylamino]pentanoic acid PDB code: 5wya(A).
		3. Ligand: ILP × 1 N-[O-Phosphono-Pyridoxyl]-Isoleucine PDB code: 5wyf(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: PLP × 2 pyridoxal phosphate Pyridoxal-5'-Phosphate PDB codes: 4ysn(A), 5ll3(A).
		2. Ligand: 7VO × 1 (2s,3s)-3-Methyl-2-[[2-Methyl-3-Oxidanyl-5- (Phosphonooxymethyl)pyridin-4- Yl]methylamino]pentanoic acid PDB code: 5wya(A).
		3. Ligand: ILP × 1 N-[O-Phosphono-Pyridoxyl]-Isoleucine PDB code: 5wyf(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5wya(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5wya(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5wya(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5wya(A).