Ligand clusters for UniProt code P16581

Ligand clusters for P16581: E-selectin from Homo sapiens

		Top 6 (of 10) ligand clusters Cluster 1. 6 ligand types 7 ligands Cluster 2. 2 ligand types 7 ligands Cluster 3. 1 ligand type 5 ligands Cluster 4. 1 ligand type 12 ligands Cluster 5. 1 ligand type 5 ligands Cluster 6. 1 ligand type 5 ligands
Representative protein: 4c16A

Structures

PDB		Schematic diagram
4c16A
6eykA
4csyA
6eyiA
6eyjA
		more ...

Cluster 1 contains 6 ligand types

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Ligand		Description
		1. Ligand: MAG-GAL-SIA-FUC × 2 MAG=Methyl 2-Acetamido-2-Deoxy-Beta-D-Glucopyranoside, GAL=Beta-D-Galactopyranose, SIA=N-Acetyl-Alpha-Neuraminic acid, FUC=Alpha-L-Fucopyranose. PDB codes: 1g1t(A), 4csy(A).
		2. Ligand: 4WC-GAL-Q6Z-FUC × 1 4WC=(S)-Cyclohexyl lactic acid, GAL=Beta-D-Galactopyranose, Q6Z=(1r,2r,3s)-3-Methylcyclohexane-1,2-Diol, FUC=Alpha-L-Fucopyranose. PDB code: 4c16(A).
		3. Ligand: C4Z × 1 (2~{r})-3-Cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r}, 6~{r})-2-(Hydroxymethyl)-6-[(1~{r},2~{r})-2- [(2~{s}, 3~{s},4~{r},5~{s},6~{s})-6-Methyl-3,4,5- Tris(oxidanyl)oxan-2-Yl]oxycyclohexyl]oxy-3,5- Bis(oxidanyl)oxan-4-Yl]oxy-Propanoic acid PDB code: 6eyi(A).
		4. Ligand: C5H × 1 (2~{s})-3-Cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r}, 6~{r})-2-(Hydroxymethyl)-3,5-Bis(oxidanyl)-6- [(1~{r}, 2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5- Tris(oxidanyl)-6-(Trifluoromethyl)oxan- 2- Yl]oxycyclohexyl]oxy-Oxan-4-Yl]oxy-Propanoic acid PDB code: 6eyj(A).
		5. Ligand: C5K × 1 (2~{s})-3-Cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r}, 6~{r})-2-(Hydroxymethyl)-6-[(1~{r},2~{r},3~{s})- 3- Methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5- Tris(oxidanyl)-6-(Trifluoromethyl)oxan-2- Yl]oxy- Cyclohexyl]oxy-3,5-Bis(oxidanyl)oxan-4-Yl]oxy- Propanoic acid PDB code: 6eyk(A).
_Ca		6. Metal: _CA × 1 PDB code: 1esl(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: NAG × 6 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4c16(A), 4csy(A), 6eyi(A), 6eyj(A), 6eyk(A).
_Cl		2. Metal: _CL × 1 PDB code: 1esl(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4c16(A), 4csy(A), 6eyi(A), 6eyj(A), 6eyk(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 12 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4c16(A), 4csy(A), 6eyi(A), 6eyj(A), 6eyk(A),

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4c16(A), 4csy(A), 6eyi(A), 6eyj(A), 6eyk(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4c16(A), 4csy(A), 6eyi(A), 6eyj(A), 6eyk(A).