Ligand clusters for UniProt code Q9QUK6

Ligand clusters for Q9QUK6: Toll-like receptor 4 from Mus musculus

		Top 6 (of 11) ligand clusters Cluster 1. 3 ligand types 5 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 3 ligand types 9 ligands Cluster 4. 3 ligand types 6 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 2z64A

Structures

PDB		Schematic diagram
2z64A
3vq1A
5ijbA
5ijdA
5ijcA
		more ...

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: LP4-LP5-DAO-MYR × 2 LP4=2-Deoxy-3-O-[(3r)-3-Hydroxytetradecanoyl]-2-{[(3r)-3- Hydroxytetradecanoyl]amino}-4-O-Phosphono- Beta-D- Glucopyranose, LP5=(R)-((2r,3s,4r,5r,6r)-3-Hydroxy-2-(Hydroxymethyl)-5- ((R)-3-Hydroxytetradecanamido)-6- (Phosphonooxy) tetrahydro-2h-Pyran-4-Yl) 3-Hydroxytetradecanoate, DAO=Lauric acid, MYR=Myristic acid. PDB codes: 3vq2(A), 5ijd(A).
		2. Ligand: V2A × 2 Neoseptin 3 PDB codes: 5ijc(A),
		3. Ligand: LP4-LP5 × 1 LP4=2-Deoxy-3-O-[(3r)-3-Hydroxytetradecanoyl]-2-{[(3r)-3- Hydroxytetradecanoyl]amino}-4-O-Phosphono- Beta-D- Glucopyranose, LP5=(R)-((2r,3s,4r,5r,6r)-3-Hydroxy-2-(Hydroxymethyl)-5- ((R)-3-Hydroxytetradecanamido)-6- (Phosphonooxy) tetrahydro-2h-Pyran-4-Yl) 3-Hydroxytetradecanoate. PDB code: 3vq1(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: LP4-LP5-DAO-MYR × 2 LP4=2-Deoxy-3-O-[(3r)-3-Hydroxytetradecanoyl]-2-{[(3r)-3- Hydroxytetradecanoyl]amino}-4-O-Phosphono- Beta-D- Glucopyranose, LP5=(R)-((2r,3s,4r,5r,6r)-3-Hydroxy-2-(Hydroxymethyl)-5- ((R)-3-Hydroxytetradecanamido)-6- (Phosphonooxy) tetrahydro-2h-Pyran-4-Yl) 3-Hydroxytetradecanoate, DAO=Lauric acid, MYR=Myristic acid. PDB codes: 3vq2(A), 5ijd(A).
		2. Ligand: LP4-LP5 × 1 LP4=2-Deoxy-3-O-[(3r)-3-Hydroxytetradecanoyl]-2-{[(3r)-3- Hydroxytetradecanoyl]amino}-4-O-Phosphono- Beta-D- Glucopyranose, LP5=(R)-((2r,3s,4r,5r,6r)-3-Hydroxy-2-(Hydroxymethyl)-5- ((R)-3-Hydroxytetradecanamido)-6- (Phosphonooxy) tetrahydro-2h-Pyran-4-Yl) 3-Hydroxytetradecanoate. PDB code: 3vq1(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 2 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3vq1(A), 3vq2(A).
		2. Ligand: NAG-NAG × 6 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 2z64(A), 3vq1(A), 3vq2(A), 5ijb(A), 5ijc(A), 5ijd(A).
		3. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 2z64(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 2 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 3vq2(A), 5ijb(A).
		2. Ligand: NAG-NAG × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 3vq1(A), 5ijc(A), 5ijd(A).
		3. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 2z64(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG-NAG-BMA-FUL × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUL=Beta-L-Fucopyranose. PDB code: 2z64(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 1 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB code: 2z64(A).