Ligand clusters for UniProt code Q5EK40

Ligand clusters for Q5EK40: Cholix toxin from Vibrio cholerae

		Top 6 (of 10) ligand clusters Cluster 1. 15 ligand types 16 ligands Cluster 2. 7 ligand types 8 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 2q5tA

Structures

PDB		Schematic diagram
2q5tA
3q9oA
3ki0A
3ki2A
3ki1A
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3q9o(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 2q5t(A),
		3. Ligand: 18N × 1 1h-Benzo[de]isoquinoline-1,3(2h)-Dione PDB code: 3ess(A).
		4. Ligand: G9D × 1 3-(Morpholin-4-Ylmethyl)-1,5-Dihydro-6h-[1, 2]diazepino[4,5,6-Cd]indol-6-One PDB code: 3ki0(A).
		5. Ligand: G9F × 1 2-{4-[3-(Dimethylamino)propoxy]phenyl}-5,6- Dihydroimidazo[4,5,1-Jk][1,4]benzodiazepin-7(4h)-One PDB code: 3ki1(A).
		6. Ligand: G9G × 1 2-(4-Methylpiperazin-1-Yl)benzo[c][1,5]naphthyridin- 6(5h)-One PDB code: 3ki2(A).
		7. Ligand: G9H × 1 2-[(Dimethylamino)methyl]-5,6-Dihydroimidazo[4,5,1- Jk][1,4]benzodiazepin-7(4h)-One PDB code: 3ki3(A).
		8. Ligand: G9I × 1 2-{2-[4-(Pyrrolidin-1-Ylmethyl)phenyl]ethyl}-5,6- Dihydroimidazo[4,5,1-Jk][1,4]benzodiazepin-7(4h)- One PDB code: 3ki7(A).
		9. Ligand: G9L × 1 8-Fluoro-2-(3-Piperidin-1-Ylpropanoyl)-1,3,4,5- Tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-One PDB code: 3ki6(A).
		10. Ligand: G9M × 1 N-(6-Oxo-5,6-Dihydrobenzo[c][1,5]naphthyridin-2-Yl)-2- (4-Pyrrolidin-1-Ylpiperidin-1-Yl)acetamide PDB code: 3ki5(A).
		11. Ligand: G9P × 1 (11br)-3-Oxo-1,2,3,11b-Tetrahydrochromeno[4,3,2- De]isoquinoline-10-Sulfonic acid PDB code: 3ki4(A).
		12. Ligand: NAD × 1 Nicotinamide-Adenine-Dinucleotide PDB code: 3q9o(A).
		13. Ligand: P34 × 1 N~2~,N~2~-Dimethyl-N~1~-(6-Oxo-5,6- Dihydrophenanthridin-2-Yl)glycinamide PDB code: 2q6m(A).
		14. Ligand: PO4 × 1 Phosphate ion PDB code: 3ny6(A).
		15. Ligand: V30 × 1 2-[(5,6-Dimethyl-4-Oxo-3,4-Dihydrothieno[2,3- D]pyrimidin-2-Yl)sulfanyl]-N-(2- Hydroxyethyl)acetamide PDB code: 3ny6(A).

Cluster 2 contains 7 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3ki4(A), 3ny6(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2q5t(A).
		3. Ligand: G9D × 1 3-(Morpholin-4-Ylmethyl)-1,5-Dihydro-6h-[1, 2]diazepino[4,5,6-Cd]indol-6-One PDB code: 3ki0(A).
		4. Ligand: G9F × 1 2-{4-[3-(Dimethylamino)propoxy]phenyl}-5,6- Dihydroimidazo[4,5,1-Jk][1,4]benzodiazepin-7(4h)-One PDB code: 3ki1(A).
		5. Ligand: G9G × 1 2-(4-Methylpiperazin-1-Yl)benzo[c][1,5]naphthyridin- 6(5h)-One PDB code: 3ki2(A).
		6. Ligand: G9M × 1 N-(6-Oxo-5,6-Dihydrobenzo[c][1,5]naphthyridin-2-Yl)-2- (4-Pyrrolidin-1-Ylpiperidin-1-Yl)acetamide PDB code: 3ki5(A).
		7. Ligand: P34 × 1 N~2~,N~2~-Dimethyl-N~1~-(6-Oxo-5,6- Dihydrophenanthridin-2-Yl)glycinamide PDB code: 2q6m(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3q9o(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2q5t(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3q9o(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2q5t(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3ki4(A), 3ny6(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2q5t(A).