Ligand clusters for UniProt code P08191

Ligand clusters for P08191: Type 1 fimbrin D-mannose specific adhesin from Escherichia coli (strain K12)

		Top 6 (of 16) ligand clusters Cluster 1. 37 ligand types 49 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 5 ligands
Representative protein: 1kiuB

Structures

PDB		Schematic diagram
1kiuB
1klfB
6gtyA
4av5A
5fs5A
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Cluster 1 contains 37 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: KGM × 3 Heptyl alpha-D-Mannopyranoside PDB codes: 4lov(A), 4xo8(A), 5fs5(A).
		2. Ligand: MMA × 3 Methyl alpha-D-Mannopyranoside PDB codes: 1kiu(B), 5jcq(A), 5jcr(A).
		3. Ligand: 3X8 × 2 Biphenyl-4-Yl alpha-D-Mannopyranoside PDB codes: 4x50(A), 5fwr(A).
		4. Ligand: BWG × 2 N-{5-[(1r)-1-Hydroxyethyl]-1,3-Thiazol-2-Yl}-Alpha-D- Mannopyranosylamine PDB codes: 3zl1(A), 3zl2(A).
		5. Ligand: DEG × 2 Butyl alpha-D-Mannopyranoside PDB codes: 1tr7(B), 1uwf(A).
		6. Ligand: EJK × 2 4-[3-Chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6- (Hydroxymethyl)-3,4,5-Tris(oxidanyl)oxan-2- Yl]oxy- Phenyl]-2,3,5,6-Tetrakis(fluoranyl)benzenecarbonitrile PDB codes: 6g2r(A),
		7. Ligand: FVQ × 2 3-(Pyridin-3-Yl)prop-2-Yn-1-Yl alpha-D-Mannopyranoside PDB codes: 4av4(A), 4avk(A).
		8. Ligand: HNW × 2 4-(3-Hydroxyprop-1-Yn-1-Yl)phenyl alpha-D- Mannopyranoside PDB codes: 4auj(A), 4auy(A).
		9. Ligand: MMA-MAN × 2 MMA=Methyl alpha-D-Mannopyranoside, MAN=Alpha-D-Mannopyranose. PDB codes: 6gtx(A), 6gty(A).
		10. Ligand: SBQ × 2 Methyl 3-[3-Chloranyl-4-[(2~{r},3~{s},4~{s},5~{s}, 6~{r})-6-(Hydroxymethyl)-3,4,5- Tris(oxidanyl)oxan-2- Yl]oxy-Phenyl]benzoate PDB codes: 7ayn(A),
		11. Ligand: 3XJ × 1 4-{[3-Chloro-4-(Alpha-D-Mannopyranosyloxy) phenyl]carbamoyl}benzoic acid PDB code: 4x5p(A).
		12. Ligand: 3XN × 1 4-(5-Nitro-1h-Indol-1-Yl)phenyl alpha-D-Mannopyranoside PDB code: 4x5q(A).
		13. Ligand: 3XO × 1 2-Chloro-4-{[2-(4-Methylpiperazin-1-Yl)-3,4- Dioxocyclobut-1-En-1-Yl]amino}phenyl alpha-D- Mannopyranoside PDB code: 4x5r(A).
		14. Ligand: 51C × 1 (6r)-1,6-Anhydro-2-O-Heptyl-6-(Hydroxymethyl)-D- Galactitol PDB code: 5cgb(A).
		15. Ligand: 5U7 × 1 5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6- (Hydroxymethyl)-3,4,5-Tris(oxidanyl)oxan-2-Yl]oxy-3- Methyl-Phenyl]-~{N}1,~{N}3-Dimethyl-Benzene-1,3- Dicarboxamide PDB code: 5f2f(A).
		16. Ligand: 5US × 1 3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6- (Hydroxymethyl)-3,4,5-Tris(oxidanyl)oxan-2-Yl]oxy-3- Methyl-Phenyl]-~{N}-Methyl-Benzamide PDB code: 5f3f(A).
		17. Ligand: 6K3 × 1 Heptyl 4-Deoxy-4-Fluoro-Alpha-D-Mannopyranoside PDB code: 5l4y(A).
		18. Ligand: 6KH × 1 Heptyl 3-Fluoro-Alpha-D-Mannopyranoside PDB code: 5l4w(A).
		19. Ligand: 6KS × 1 Heptyl 2-Fluoro-Alpha-D-Mannopyranoside PDB code: 5l4u(A).
		20. Ligand: 6KU × 1 Heptyl 4-Deoxy-4-Deoxy-Alpha-D-Mannopyranoside PDB code: 5l4x(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDT × 1 edetic acid {[-(Bis-Carboxymethyl-Amino)-Ethyl]-Carboxymethyl- Amino}-Acetic acid PDB code: 5fx3(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5f2f(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4av5(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1uwf(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 1ze3(H).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4lov(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 7ayn(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 4 Sulfate ion PDB codes: 4av5(A), 5cgb(A), 6g2r(A), 6g2s(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 7ayn(A).