Ligand clusters for UniProt code Q9R1E6

Ligand clusters for Q9R1E6: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 from Mus musculus

		Top 6 (of 29) ligand clusters Cluster 1. 24 ligand types 93 ligands Cluster 2. 6 ligand types 28 ligands Cluster 3. 3 ligand types 14 ligands Cluster 4. 2 ligand types 11 ligands Cluster 5. 2 ligand types 13 ligands Cluster 6. 2 ligand types 13 ligands
Representative protein: 3nkmA

Structures

PDB		Schematic diagram
3nkmA
5hrtA
5olbA
3wavA
6y5mA
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Cluster 1 contains 24 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Zn		1. Metal: _ZN × 34 PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 3way(A), 5hrt(A), 5inh(A), 5lia(A), 5ohi(A), 5olb(A), 6leh(A), 6y5m(A),
		2. Ligand: EDO × 13 1,2-Ethanediol PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 3way(A), 5lia(A), 6leh(A).
		3. Ligand: NAG-NAG-BMA-MAN-MAN-MAN × 12 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3way(A), 5inh(A), 5lia(A), 5olb(A), 6y5m(A).
		4. Ligand: SO4 × 5 Sulfate ion PDB codes: 3nkm(A), 3wav(A), 3waw(A), 5lia(A), 6leh(A).
		5. Ligand: NAG-NAG-BMA-MAN-MAN-MAN-MAN × 4 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB codes: 3waw(A), 3wax(A), 5hrt(A), 5ohi(A).
		6. Ligand: NKP × 3 (2r)-2-Hydroxy-3-(Phosphonooxy)propyl (9e)-Octadec-9- Enoate PDB codes: 3nkm(A), 3nkp(A),
		7. Ligand: NKN × 2 (2r)-2-Hydroxy-3-(Phosphonooxy)propyl tetradecanoate PDB codes: 3nkn(A),
		8. Ligand: NKO × 2 (2r)-2-Hydroxy-3-(Phosphonooxy)propyl hexadecanoate PDB codes: 3nko(A),
		9. Ligand: NKQ × 2 (2r)-2-Hydroxy-3-(Phosphonooxy)propyl (9e,12z,15z)- Octadeca-9,12,15-Trienoate PDB codes: 3nkq(A),
		10. Ligand: NKR × 2 (2r)-2-Hydroxy-3-(Phosphonooxy)propyl (4z,7e,10e,13z, 16z,19z)-Docosa-4,7,10,13,16,19-Hexaenoate PDB codes: 3nkr(A),
		11. Ligand: 6C1 × 1 {2-[(3-Chlorophenyl)methoxy]phenyl}boronic acid PDB code: 5inh(A).
		12. Ligand: 6XN × 1 ~{N}-[(1~{s})-1-(4-Chlorophenyl)ethyl]-3-[3-[[4- (Trifluoromethyloxy)phenyl]methyl]imidazo[4,5- B]pyridin-2-Yl]propanamide PDB code: 5lia(A).
		13. Ligand: 6ZO × 1 (3,5-Dichlorophenyl)methyl 4-[3-Oxo-3-(2-Oxo-2,3- Dihydro-1,3-Benzoxazol-6-Yl)propyl]piperazine-1- Carboxylate PDB code: 5olb(A).
		14. Ligand: 9V8 × 1 [3,5-Bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6- [(1~{h}-Benzotriazol-5- Ylcarbonylamino)methyl]-3- Azabicyclo[3.1.0]hexane-3-Carboxylate PDB code: 5ohi(A).
		15. Ligand: ACT × 1 Acetate ion PDB code: 5inh(A).
		16. Ligand: DWV × 1 (5z)-5-(3,4-Dichlorobenzylidene)-2-(4-Methylpiperazin- 1-Yl)-1,3-Thiazol-4(5h)-One PDB code: 3wav(A).
		17. Ligand: DWW × 1 [2-({4-[(5z)-5-(3,4-Dichlorobenzylidene)-4-Oxo-4,5- Dihydro-1,3-Thiazol-2-Yl]piperazin-1- Yl}methyl) phenyl]boronic acid PDB code: 3waw(A).
		18. Ligand: DWX × 1 [3-({4-[(5z)-5-(3,4-Dichlorobenzylidene)-4-Oxo-4,5- Dihydro-1,3-Thiazol-2-Yl]piperazin-1- Yl}methyl) phenyl]boronic acid PDB code: 3wax(A).
		19. Ligand: DWY × 1 [4-({4-[(5z)-5-(3,4-Dichlorobenzylidene)-4-Oxo-4,5- Dihydro-1,3-Thiazol-2-Yl]piperazin-1- Yl}methyl) phenyl]boronic acid PDB code: 3way(A).
		20. Ligand: EAR × 1 Ethyl 2-[2-(4-Chlorophenyl)-7-Methyl-5-Oxidanylidene- Imidazo[1,2-A]pyrimidin-8-Yl]ethanoate PDB code: 6leh(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: NAG × 3 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 5inh(A), 5lia(A), 6y5m(A).
		2. Ligand: NAG-NAG × 12 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 3way(A), 5ohi(A), 5olb(A).
		3. Ligand: EDO × 10 1,2-Ethanediol PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 6leh(A).
		4. Ligand: NAG-NAG-BMA-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 5hrt(A).
		5. Ligand: NAG-NAG-MAN × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, MAN=Alpha-D-Mannopyranose. PDB code: 6leh(A).
		6. Ligand: P3G × 1 3,6,9,12,15-Pentaoxaheptadecane PDB code: 5ohi(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: NAG × 1 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB code: 6y5m(A).
		2. Ligand: NAG-NAG × 12 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 3way(A), 5inh(A), 5ohi(A).
		3. Ligand: NAG-NAG-BMA-MAN-FUC-FUC × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose, FUC=Alpha-L-Fucopyranose. PDB code: 5olb(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5hrt(A).
		2. Ligand: EDO × 10 1,2-Ethanediol PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 6leh(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5hrt(A),
		2. Ligand: EDO × 11 1,2-Ethanediol PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 3way(A), 6leh(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5hrt(A),
		2. Ligand: EDO × 11 1,2-Ethanediol PDB codes: 3nkm(A), 3nkn(A), 3nko(A), 3nkp(A), 3nkq(A), 3nkr(A), 3wav(A), 3waw(A), 3wax(A), 3way(A), 6leh(A).