Ligand clusters for UniProt code P06280

Ligand clusters for P06280: Alpha-galactosidase A OS=Homo sapiens OX=9606 GN=GLA PE=1 SV=1

		Top 6 (of 35) ligand clusters Cluster 1. 9 ligand types 22 ligands Cluster 2. 6 ligand types 19 ligands Cluster 3. 16 ligand types 26 ligands Cluster 4. 5 ligand types 20 ligands Cluster 5. 4 ligand types 5 ligands Cluster 6. 3 ligand types 5 ligands
Representative protein: 3hg3A

Structures

PDB		Schematic diagram
3hg3A
3lxcA
3lxbA
6ibrA
6ibkA
		more ...

Cluster 1 contains 9 ligand types

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Ligand		Description
		1. Ligand: NAG-NAG-BMA-MAN × 7 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose. PDB codes: 3hg3(A), 3lx9(A), 3lxa(A), 3lxb(A), 3lxc(A), 6ibk(A), 6ibt(A).
		2. Ligand: NAG-NAG-BMA × 5 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose. PDB codes: 3hg2(A), 3hg5(A), 3tv8(A), 6ibm(A), 6ibr(A).
		3. Ligand: NAG-NAG × 3 NAG=N-Acetyl-D-Glucosamine. PDB codes: 3gxn(A), 3gxt(A), 4nxs(A).
		4. Ligand: NAG-NAG-MAN-MAN-MAN × 2 NAG=N-Acetyl-D-Glucosamine, MAN=Alpha-D-Mannose. PDB codes: 1r46(A), 1r47(A).
		5. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6ibm(A).
		6. Ligand: NAG-NAG-BMA-MAN-MAN × 1 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose. PDB code: 3hg4(A).
		7. Ligand: NAG-NAG-BMA-MAN-MAN-FUC-XYP × 1 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose, FUC=Alpha-L-Fucose, XYP=Beta-D-Xylopyranose. PDB code: 3s5z(A).
		8. Ligand: NAG-NAG-BMA-XYP-FUC × 1 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, FUC=Alpha-L-Fucose, XYP=Beta-D-Xylopyranose. PDB code: 3s5y(A).
		9. Ligand: NAG-NAG-MAN × 1 NAG=N-Acetyl-D-Glucosamine, MAN=Alpha-D-Mannose. PDB code: 3gxp(A).

Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 10 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 1r46(A), 3gxp(A), 3hg3(A), 3hg5(A), 3lx9(A), 3lxa(A), 3lxb(A), 3lxc(A), 3tv8(A), 4nxs(A).
		2. Ligand: NAG-NAG-BMA × 4 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose. PDB codes: 6ibk(A), 6ibm(A), 6ibr(A), 6ibt(A).
		3. Ligand: NAG-NAG × 2 NAG=N-Acetyl-D-Glucosamine. PDB codes: 1r47(A), 3gxt(A).
		4. Ligand: NAG-FUC × 1 NAG=N-Acetyl-D-Glucosamine, FUC=Alpha-L-Fucose. PDB code: 3hg2(A).
		5. Ligand: NAG-NAG-BMA-MAN-MAN-FUC-XYP × 1 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose, FUC=Alpha-L-Fucose, XYP=Beta-D-Xylopyranose. PDB code: 3s5y(A).
		6. Ligand: NAG-NAG-FUC × 1 NAG=N-Acetyl-D-Glucosamine, FUC=Alpha-L-Fucose. PDB code: 3hg4(A).

Cluster 3 contains 16 ligand types

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Ligand		Description
		1. Ligand: GAL × 1 Beta-D-Galactose PDB code: 1r47(A).
		2. Ligand: DGJ × 2 migalastat (2r,3s,4r,5s)-2-(Hydroxymethyl)piperidine-3,4,5-Triol PDB codes: 3s5y(A), 3tv8(A).
		3. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3lxb(A), 3lxc(A).
		4. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 1r46(A), 6ibk(A), 6ibm(A),
		5. Ligand: GLA × 4 Alpha d-Galactose PDB codes: 3gxp(A), 3hg5(A), 3lxa(A), 3s5z(A).
		6. Ligand: ACT × 3 Acetate ion PDB codes: 6ibm(A), 6ibr(A), 6ibt(A).
		7. Ligand: 2OZ × 1 (2r,3s,4r,5s)-N-(4-Fluorophenyl)-3,4,5-Trihydroxy-2- (Hydroxymethyl)piperidine-1-Carbothioamide PDB code: 4nxs(A).
		8. Ligand: 2PE × 1 Nonaethylene glycol PDB code: 3hg3(A).
		9. Ligand: 7JZ × 1 2-Deoxy-2,2-Difluoro-Beta-D-Lyxo-Hexopyranose PDB code: 3hg4(A).
		10. Ligand: A2G × 1 N-Acetyl-2-Deoxy-2-Amino-Galactose PDB code: 3lx9(A).
		11. Ligand: GLA-GLC × 1 GLA=Alpha d-Galactose, GLC=Alpha-D-Glucose. PDB code: 3hg3(A).
		12. Ligand: H9T × 1 (1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5- (Hydroxymethyl)-7-Azabicyclo[4.1.0]heptane-2,3,4-Triol PDB code: 6ibt(A).
		13. Ligand: HBE × 1 (2~{r},3~{s},4~{s},5~{r},6~{s})-5-(Hydroxymethyl)-7- Oxabicyclo[4.1.0]heptane-2,3,4-Triol PDB code: 6ibr(A).
		14. Ligand: HF8 × 1 [(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2- (Hydroxymethyl)-3,4,5,6- Tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate PDB code: 6ibm(A).
		15. Ligand: NOJ × 1 1-Deoxynojirimycin PDB code: 3gxt(A).
		16. Ligand: YTW × 1 (3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7- (Hydroxymethyl)-2,2-Bis(oxidanylidene)- 3~{a},4,5,6,7, 7~{a}-Hexahydro-3~{h}-Benzo[d][1,2,3]oxathiazole-4,5, 6-Triol PDB code: 6ibk(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: NAG × 5 n-acetylglucosamine N-Acetyl-D-Glucosamine PDB codes: 3hg2(A), 3hg5(A), 3tv8(A), 4nxs(A), 6ibt(A).
		2. Ligand: NAG-NAG × 10 NAG=N-Acetyl-D-Glucosamine. PDB codes: 1r46(A), 3gxp(A), 3gxt(A), 3hg3(A), 3hg4(A), 3lxa(A), 3lxb(A), 6ibk(A), 6ibm(A), 6ibr(A).
		3. Ligand: NAG-NAG-BMA-MAN-FUC × 2 NAG=N-Acetyl-D-Glucosamine, BMA=Beta-D-Mannose, MAN=Alpha-D-Mannose, FUC=Alpha-L-Fucose. PDB codes: 3lx9(A), 3lxc(A).
		4. Ligand: NAG-NAG-FUC × 2 NAG=N-Acetyl-D-Glucosamine, FUC=Alpha-L-Fucose. PDB codes: 3s5y(A), 3s5z(A).
		5. Ligand: NAG-NAG-MAN × 1 NAG=N-Acetyl-D-Glucosamine, MAN=Alpha-D-Mannose. PDB code: 1r47(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3lxb(A).
		2. Ligand: 2PE × 2 Nonaethylene glycol PDB codes: 3hg3(A), 3s5y(A).
		3. Ligand: GAL × 1 Beta-D-Galactose PDB code: 3s5z(A).
		4. Ligand: GLA × 1 Alpha d-Galactose PDB code: 3lxa(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 6ibr(A), 6ibt(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 3gxt(A), 4nxs(A).
		3. Ligand: TAM × 1 Tris(hydroxyethyl)aminomethane PDB code: 3gxp(A).