Ligand clusters for UniProt code O00206

Ligand clusters for O00206: Toll-like receptor 4 OS=Homo sapiens OX=9606 GN=TLR4 PE=1 SV=2

		Top 6 (of 13) ligand clusters Cluster 1. 3 ligand types 3 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 5 ligand types 7 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 3 ligand types 4 ligands Cluster 6. 3 ligand types 10 ligands
Representative protein: 3fxiA

Structures

PDB		Schematic diagram
3fxiA
4g8aA
2z63A
2z66A
3ul8A
		more ...

Cluster 1 contains 3 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 1 PDB code: 3fxi(A).
		2. Ligand: LP4-LP5-DAO-MYR-KDO × 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, DAO=Lauric acid, MYR=Myristic acid, KDO=3-Deoxy-D-Manno-Oct-2-Ulosonic acid. PDB code: 4g8a(A).
		3. Ligand: PA1-PA1-KDO-KDO-GMH-GMH-GMH-FTT-FTT-FTT-FTT-DAO-MYR-PO4-PO4-PO4-PO4 × 1 PA1=2-Amino-2-Deoxy-Alpha-D-Glucopyranose, KDO=3-Deoxy-D-Manno-Oct-2-Ulosonic acid, GMH=L-Glycero-D-Manno-Heptopyranose, FTT=3-Hydroxy-Tetradecanoic acid, DAO=Lauric acid, MYR=Myristic acid, PO4=Phosphate ion. PDB code: 3fxi(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GCS-PA1-KDO-KDO-GMH-GMH-GMH-FTT-FTT-FTT-FTT-DAO-MYR-PO4-PO4-PO4-PO4 × 1 PA1=2-Amino-2-Deoxy-Alpha-D-Glucopyranose, KDO=3-Deoxy-D-Manno-Oct-2-Ulosonic acid, GMH=L-Glycero-D-Manno-Heptopyranose, FTT=3-Hydroxy-Tetradecanoic acid, DAO=Lauric acid, MYR=Myristic acid, PO4=Phosphate ion, GCS=D-Glucosamine. PDB code: 3fxi(A).
		2. Ligand: LP4-LP5-DAO-MYR-KDO × 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, DAO=Lauric acid, MYR=Myristic acid, KDO=3-Deoxy-D-Manno-Oct-2-Ulosonic acid. PDB code: 4g8a(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: NAG × 1 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB code: 3ula(A).
		2. Ligand: NAG-NAG-BMA × 3 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose. PDB codes: 3ul7(A), 3ul8(A), 3ul9(A).
		3. Ligand: FUL × 1 Beta-L-Fucose PDB code: 3ul8(A).
		4. Ligand: NAG-FUL-NAG × 1 NAG=N-Acetyl-D-Glucosamine, FUL=Beta-L-Fucose. PDB code: 2z62(A).
		5. Ligand: NDG × 1 2-(Acetylamino)-2-Deoxy-A-D-Glucopyranose PDB code: 2z65(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: E55 × 1 3-O-Decyl-2-Deoxy-6-O-{2-Deoxy-3-O-[(3r)-3- Methoxydecyl]-6-O-Methyl-2-[(11z)-Octadec-11- Enoylamino]-4-O-Phosphono-Beta-D-Glucopyranosyl}-2- [(3-Oxotetradecanoyl)amino]-1-O-Phosphono- Alpha-D- Glucopyranose PDB code: 3ula(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 1 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB code: 3fxi(A).
		2. Ligand: NAG-NAG-BMA × 2 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose. PDB codes: 2z65(A), 3ula(A).
		3. Ligand: NAG-NAG × 1 NAG=N-Acetyl-D-Glucosamine. PDB code: 2z62(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 7 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 2z65(A), 3fxi(A), 3ul7(A), 3ul8(A), 3ul9(A), 3ula(A), 4g8a(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 3ul7(A), 3ul9(A).
		3. Ligand: NAG-FUL-NAG-BMA × 1 NAG=N-Acetyl-D-Glucosamine, FUL=Beta-L-Fucose, BMA=Beta-D-Mannose. PDB code: 2z62(A).