Ligand clusters for UniProt code P9WHH9

Ligand clusters for P9WHH9: Dihydrolipoyl dehydrogenase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

		Top 6 (of 11) ligand clusters Cluster 1. 3 ligand types 6 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 1 ligand type 4 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 4m52A

Structures

PDB		Schematic diagram
4m52A
2a8xA
3ii4A
7kmyA

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: FAD × 4 flavin adenine dinucleotide Flavin-Adenine dinucleotide PDB codes: 2a8x(A), 3ii4(A), 4m52(A), 7kmy(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 7kmy(A).
		3. Ligand: 3II × 1 N-[2-(2,4-Dichlorophenyl)ethyl]-2-{8-[(2,4- Dimethoxyphenyl)carbonyl]-4-Oxo-1-Phenyl-1,3,8- Triazaspiro[4.5]dec-3-Yl}acetamide PDB code: 3ii4(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 2a8x(A).
		2. Ligand: M52 × 1 N~2~-[(2-Amino-5-Bromopyridin-3-Yl)sulfonyl]-N-(4- Methoxyphenyl)-N~2~-Methylglycinamide PDB code: 4m52(A).
		3. Ligand: WPM × 1 N~2~-Methyl-N~2~-[(5-Methyl-1h-Indazol-7-Yl)sulfonyl]- N-(1-Methyl-2-Oxo-1,2-Dihydropyridin-4- Yl)glycinamide PDB code: 7kmy(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: FAD × 4 flavin adenine dinucleotide Flavin-Adenine dinucleotide PDB codes: 2a8x(A), 3ii4(A), 4m52(A), 7kmy(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: M52 × 1 N~2~-[(2-Amino-5-Bromopyridin-3-Yl)sulfonyl]-N-(4- Methoxyphenyl)-N~2~-Methylglycinamide PDB code: 4m52(A).
		2. Ligand: WPM × 1 N~2~-Methyl-N~2~-[(5-Methyl-1h-Indazol-7-Yl)sulfonyl]- N-(1-Methyl-2-Oxo-1,2-Dihydropyridin-4- Yl)glycinamide PDB code: 7kmy(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 7kmy(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 7kmy(A).