Ligand clusters for UniProt code P06129

Ligand clusters for P06129: Vitamin B12 transporter BtuB OS=Escherichia coli (strain K12) GN=btuB PE=1 SV=2

		Top 6 (of 25) ligand clusters Cluster 1. 9 ligand types 62 ligands Cluster 2. 3 ligand types 5 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 3 ligand types 3 ligands Cluster 5. 2 ligand types 5 ligands Cluster 6. 2 ligand types 9 ligands
Representative protein: 2gskA

Structures

PDB		Schematic diagram
2gskA
3m8bA
1nqgA
3rgmA
1nqeA
		more ...

Cluster 1 contains 9 ligand types

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Ligand		Description
		1. Ligand: C8E × 42 (Hydroxyethyloxy)tri(ethyloxy)octane PDB codes: 1nqe(A), 1nqf(A), 1nqg(A), 1nqh(A), 3m8b(A), 3m8d(A), 3rgm(A), 3rgn(A),
		2. Ligand: MPG × 7 1-Monooleoyl-Rac-Glycerol PDB codes: 2guf(A),
		3. Ligand: LDA × 5 Lauryl dimethylamine-N-Oxide PDB codes: 1ujw(A), 2gsk(A).
		4. Ligand: GOL × 2 Glycerol PDB codes: 1ujw(A),
_Mg		5. Metal: _MG × 2 PDB codes: 3rgm(A), 3rgn(A).
		6. Ligand: AAE × 1 Acetoacetic acid PDB code: 1ujw(A).
		7. Ligand: GP1 × 1 Glucosamine 1-Phosphate PDB code: 1ujw(A).
		8. Ligand: LIM × 1 3-Oxo-Pentadecanoic acid PDB code: 1ujw(A).
		9. Ligand: MTN × 1 S-[(1-Oxyl-2,2,5,5-Tetramethyl-2,5-Dihydro-1h-Pyrrol-3- Yl)methyl] methanesulfonothioate PDB code: 3rgn(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: CNC × 3 cyanocobalamin Co-Cyanocobalamin PDB codes: 1nqh(A), 2gsk(A), 3m8d(A).
		2. Ligand: GOL × 1 Glycerol PDB code: 1ujw(A).
		3. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 2guf(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GP1-LIM × 1 GP1=Glucosamine 1-Phosphate, LIM=3-Oxo-Pentadecanoic acid. PDB code: 1ujw(A).
		2. Ligand: LDA × 1 Lauryl dimethylamine-N-Oxide PDB code: 2gsk(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: HEX × 1 Hexane PDB code: 2gsk(A).
		2. Ligand: LDA × 1 Lauryl dimethylamine-N-Oxide PDB code: 1ujw(A).
		3. Ligand: MPG × 1 1-Monooleoyl-Rac-Glycerol PDB code: 2guf(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: LDA × 3 Lauryl dimethylamine-N-Oxide PDB codes: 1ujw(A), 2gsk(A).
		2. Ligand: MPG × 2 1-Monooleoyl-Rac-Glycerol PDB codes: 2guf(A),

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: C8E × 8 (Hydroxyethyloxy)tri(ethyloxy)octane PDB codes: 1nqe(A), 1nqf(A), 1nqg(A), 1nqh(A), 3m8b(A), 3m8d(A), 3rgm(A), 3rgn(A).
		2. Ligand: OCT × 1 N-Octane PDB code: 2gsk(A).