Ligand clusters for UniProt code Q08638

Ligand clusters for Q08638: Beta-glucosidase A from Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)

		Top 6 (of 17) ligand clusters Cluster 1. 29 ligand types 31 ligands Cluster 2. 3 ligand types 20 ligands Cluster 3. 2 ligand types 4 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1oifA

Structures

PDB		Schematic diagram
1oifA
2cetA
2j7gA
1oimA
2j79A
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Cluster 1 contains 29 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: G2F × 1 2-Deoxy-2-Fluoro-Alpha-D-Glucopyranose PDB code: 1oin(A).
		2. Ligand: YLL × 1 (1r,2s,3s,4s,5r,6r)-6-(Hydroxymethyl) cyclohexane-1,2,3,4,5-Pentol PDB code: 2jal(A).
		3. Ligand: NOJ × 2 1-Deoxynojirimycin PDB codes: 1oim(A), 2j77(A).
		4. Ligand: CGB × 1 Calystegine b2 PDB code: 2cbv(A).
		5. Ligand: OXZ × 1 Tetrahydrooxazine PDB code: 1w3j(A).
		6. Ligand: CTS × 1 Castanospermine PDB code: 2cbu(A).
		7. Ligand: GOX × 1 (2s,3s,4r,5r)-6-(Hydroxyamino)-2- (Hydroxymethyl)-2,3,4,5-Tetrahydropyridine-3,4,5- Triol PDB code: 2j78(A).
		8. Ligand: GTL × 1 (2e,3r,4r,5r,6s)-3,4,5-Trihydroxy-6- (Hydroxymethyl)-2-Piperidinone PDB code: 2j79(A).
		9. Ligand: NOY × 1 (2r,3s,4r,5r)-5-(Hydroxymethyl)piperidine-2, 3,4-Triol PDB code: 2j75(A).
		10. Ligand: GIM × 1 Glucoimidazole PDB code: 2ces(A).
		11. Ligand: NTZ × 1 Nojirimycine tetrazole PDB code: 2j7b(A).
		12. Ligand: AZF × 1 Azafagomine PDB code: 2j7h(A).
		13. Ligand: IFM × 1 5-Hydroxymethyl-3,4-Dihydroxypiperidine PDB code: 1oif(A).
		14. Ligand: GI3 × 1 Carboxylate-Substituted glucoimidazole PDB code: 2j7f(A).
		15. Ligand: IFL × 1 (3s,4r,5r)-3,4-Dihydroxy-5-(Hydroxymethyl) piperidin-2-One PDB code: 1uz1(A).
		16. Ligand: GI1 × 1 Methoxycarbonyl-Substituted glucoimidazole PDB code: 2j7d(A).
		17. Ligand: GI4 × 1 Methyl acetic acid-Substituted glucoimidazole PDB code: 2j7g(A).
		18. Ligand: GI2 × 1 Methyl acetate-Substituted glucoimidazole PDB code: 2j7e(A).
		19. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2j78(A).
		20. Ligand: ACT × 1 Acetate ion PDB code: 2jal(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: ACT × 17 Acetate ion PDB codes: 2cbu(A), 2cbv(A), 2ces(A), 2cet(A), 2j75(A), 2j77(A), 2j78(A), 2j79(A), 2j7b(A), 2j7c(A), 2j7d(A), 2j7e(A), 2j7f(A), 2j7g(A), 2j7h(A), 2jal(A), 2vrj(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5n6t(A), 5oss(A).
		3. Ligand: IMD × 1 Imidazole PDB code: 5n6s(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 5n6s(A), 5n6t(A), 5oss(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5n6s(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 2j7h(A).
_Ca		2. Metal: _CA × 2 PDB codes: 2j7h(A), 2vrj(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 2cbu(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2wc4(A).