Ligand clusters for UniProt code P04062

Ligand clusters for P04062: Lysosomal acid glucosylceramidase from Homo sapiens

		Top 6 (of 47) ligand clusters Cluster 1. 18 ligand types 24 ligands Cluster 2. 8 ligand types 28 ligands Cluster 3. 3 ligand types 7 ligands Cluster 4. 5 ligand types 39 ligands Cluster 5. 5 ligand types 15 ligands Cluster 6. 5 ligand types 11 ligands
Representative protein: 2v3eA

Structures

PDB		Schematic diagram
2v3eA
2wcgA
2xweA
2vt0A
2xwdA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 2nsx(A), 2nt0(A), 3gxf(A).
		2. Ligand: INS × 1 inositol 1,2,3,4,5,6-Hexahydroxy-Cyclohexane PDB code: 1y7v(A).
		3. Ligand: NBV × 1 miglustat (2r,3r,4r,5s)-1-Butyl-2-(Hydroxymethyl)piperidine-3,4, 5-Triol PDB code: 2v3d(A).
		4. Ligand: NND × 2 (2r,3r,4r,5s)-2-(Hydroxymethyl)-1-Nonylpiperidine-3,4, 5-Triol PDB codes: 2v3e(A),
		5. Ligand: SO4 × 1 Sulfate ion PDB code: 1ogs(A).
		6. Ligand: ACT × 3 Acetate ion PDB codes: 6q6k(A), 6q6l(A), 6q6n(A).
		7. Ligand: RJR × 2 (1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1- Adamantylmethoxy)propyl]-1,2,3-Triazol-1- Yl]methyl]cyclohexane-1,2,3,5-Tetrol PDB codes: 6q6l(A),
		8. Ligand: 3RK × 1 (3s,4r,5r,6s)-Azepane-3,4,5,6-Tetrol PDB code: 3ril(A).
		9. Ligand: 79B × 1 11-[(2~{r})-2-[(2-Pyridin-3-Ylquinazolin-4-Yl)amino]-2, 3-Dihydro-1~{h}-Inden-5-Yl]undec-10- Ynoic acid PDB code: 5lvx(A).
		10. Ligand: 7E4 × 1 11-[(2~{s})-2-[(2-Pyridin-3-Ylquinazolin-4-Yl)amino]-2, 3-Dihydro-1~{h}-Inden-5-Yl]undec-10- Ynoic acid PDB code: 5lvx(A).
		11. Ligand: AMF × 1 (3z,5s,6r,7s,8r,8as)-3-(Octylimino)hexahydro[1, 3]thiazolo[3,4-A]pyridine-5,6,7,8-Tetrol PDB code: 2xwe(A).
		12. Ligand: BTB × 1 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol PDB code: 2v3f(A).
		13. Ligand: CBU × 1 (1r,2r,3s,4s,5s,6s)-Cyclohexane-1,2,3,4,5,6-Hexol PDB code: 2vt0(A).
		14. Ligand: HK2 × 1 (1~{s},3~{s},4~{r},6~{r})-2,3,4,6-Tetrakis(oxidanyl)-5- [[4-[3-(4-Phenylphenoxy)propyl]-1,2,3- Triazol-1- Yl]methyl]cyclohexan-1-Olate PDB code: 6q6n(A).
		15. Ligand: HKW × 1 6-[3,3-Dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3- Trimethylindol-2-Ylidene)penta-1,3-Dienyl]indol-1- Ium- 1-Yl]-~{N}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3, 4,6- Tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3- Triazol-4-Yl]methyl]hexanamide PDB code: 6q6k(A).
		16. Ligand: JXA × 1 (2r,3s,4r)-2-{[4-(3,5-Dichlorophenyl)-1h-1,2,3-Triazol- 1-Yl]methyl}pyrrolidine-3,4-Diol PDB code: 6moz(A).
		17. Ligand: LGS × 1 (3z,5s,6r,7s,8r,8ar)-3-(Octylimino)hexahydro[1, 3]oxazolo[3,4-A]pyridine-5,6,7,8-Tetrol PDB code: 2xwd(A).
		18. Ligand: MT5 × 1 N-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8- Tetrahydroxyhexahydroimidazo[1,5-A]pyridin-3(2h)- Ylidene]octan- 1-Aminium PDB code: 2wcg(A).

Cluster 2 contains 8 ligand types

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Ligand		Description
		1. Ligand: NAG × 12 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 1ogs(A), 2f61(A), 2nsx(A), 2nt0(A), 2nt1(A), 3gxd(A), 3gxf(A), 3gxi(A), 3gxm(A), 3rik(A), 3ril(A), 6moz(A).
		2. Ligand: NAG-NAG × 6 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1y7v(A), 2j25(A), 2wkl(A), 6q6k(A), 6q6l(A), 6q6n(A).
		3. Ligand: NAG-NAG-BMA-FUC × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 2v3d(A), 2v3e(A), 2xwe(A).
		4. Ligand: NAG-NAG-MAN-FUC × 3 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB codes: 2v3f(A), 2vt0(A), 2xwd(A).
		5. Ligand: NAG-NAG-BMA × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose. PDB code: 2wcg(A).
		6. Ligand: NAG-NAG-BMA-MAN-MAN-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 5lvx(A).
		7. Ligand: NDG × 1 2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose PDB code: 3keh(A).
		8. Ligand: NDG-NAG × 1 NDG=2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose, NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB code: 3ke0(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 2nt0(A), 3gxf(A), 3ke0(A), 3keh(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 1ogs(A).
		3. Ligand: ACT × 2 Acetate ion PDB codes: 6q6k(A), 6q6l(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: SO4 × 8 Sulfate ion PDB codes: 1ogs(A), 1y7v(A), 2j25(A), 2nsx(A), 2nt0(A),
		2. Ligand: PO4 × 2 Phosphate ion PDB codes: 2nt1(A),
		3. Ligand: SO4 × 20 Sulfate ion PDB codes: 2v3f(A), 2vt0(A), 2wcg(A), 2wkl(A), 2xwd(A), 3gxm(A), 3ke0(A), 3rik(A), 3ril(A), 6q6k(A), 6q6l(A), 6q6n(A).
		4. Ligand: PO4 × 7 Phosphate ion PDB codes: 3gxd(A), 3gxf(A), 3gxi(A), 5lvx(A).
		5. Ligand: ACT × 2 Acetate ion PDB codes: 6q6l(A), 6q6n(A).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 1ogs(A), 2j25(A).
		2. Ligand: PO4 × 1 Phosphate ion PDB code: 2nt1(A).
		3. Ligand: SO4 × 7 Sulfate ion PDB codes: 2wkl(A), 3ke0(A), 3keh(A), 3rik(A), 3ril(A), 6q6k(A), 6q6l(A).
		4. Ligand: PO4 × 4 Phosphate ion PDB codes: 3gxd(A), 3gxf(A), 3gxi(A).
		5. Ligand: ACT × 1 Acetate ion PDB code: 6q6n(A).

Cluster 6 contains 5 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 1ogs(A), 1y7v(A).
		2. Ligand: PO4 × 1 Phosphate ion PDB code: 2nt1(A).
		3. Ligand: SO4 × 5 Sulfate ion PDB codes: 3ke0(A), 3keh(A), 3rik(A), 3ril(A), 6q6n(A).
		4. Ligand: PO4 × 2 Phosphate ion PDB codes: 3gxf(A), 3gxi(A).
		5. Ligand: ACT × 1 Acetate ion PDB code: 6q6l(A).