Ligand clusters for UniProt code D5CV28

Ligand clusters for D5CV28: UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase OS=Escherichia coli O18:K1:H7 (strain IHE3034 / ExPEC) GN=lpxC PE=1 SV=1

		Top 6 (of 12) ligand clusters Cluster 1. 9 ligand types 18 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 4 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 1 ligand type 4 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 4mqyA

Structures

PDB		Schematic diagram
4mqyA
4is9A
3ps2A
3p3gA
3ps3A
		more ...

Cluster 1 contains 9 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 6 PDB codes: 3p3g(A), 3ps2(A), 3ps3(A), 4is9(A), 4isa(A), 4mqy(A).
		2. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3ps2(A), 3ps3(A).
		3. Ligand: SO4 × 4 Sulfate ion PDB codes: 3p3g(A), 3ps2(A), 3ps3(A), 4mqy(A).
		4. Ligand: 2CW × 1 4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]-N-[(2s,3r)-3- Hydroxy-2-Methyl-1-Nitroso-1-Oxobutan-2- Yl]benzamide PDB code: 4mqy(A).
		5. Ligand: 3P3 × 1 N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4- Phenylbuta-1,3-Diyn-1-Yl)benzamide PDB code: 3p3g(A).
		6. Ligand: GVR × 1 (2r)-N-Hydroxy-3-Naphthalen-2-Yl-2-[(Naphthalen-2- Ylsulfonyl)amino]propanamide PDB code: 4isa(A).
		7. Ligand: L53 × 1 4-[4-(4-Aminophenyl)buta-1,3-Diyn-1-Yl]-N-[(2s,3s)-3- Hydroxy-1-Nitroso-1-Oxobutan-2-Yl]benzamide PDB code: 3ps3(A).
		8. Ligand: LTF × 1 (4r)-2-(3,4-Dimethoxy-5-Propylphenyl)-N-Hydroxy-4,5- Dihydro-1,3-Oxazole-4-Carboxamide PDB code: 4is9(A).
		9. Ligand: ZH4 × 1 4-[4-(3-Aminophenyl)buta-1,3-Diyn-1-Yl]-N-[(2s,3r)-3- Hydroxy-1-Nitroso-1-Oxobutan-2-Yl]benzamide PDB code: 3ps2(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: D1D × 1 (4s,5s)-1,2-Dithiane-4,5-Diol PDB code: 4isa(A).
		2. Ligand: GVR × 1 (2r)-N-Hydroxy-3-Naphthalen-2-Yl-2-[(Naphthalen-2- Ylsulfonyl)amino]propanamide PDB code: 4isa(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: UKW × 4 4-Ethynyl-N-[(1s,2r)-2-Hydroxy-1-(Oxocarbamoyl) propyl]benzamide PDB codes: 3p3g(A), 3ps2(A), 3ps3(A), 4mqy(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 3ps3(A), 4mqy(A).
		2. Ligand: IPA × 1 Isopropyl alcohol PDB code: 4is9(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 4 Sulfate ion PDB codes: 3p3g(A), 3ps2(A), 3ps3(A), 4mqy(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 3p3g(A), 3ps3(A).