Ligand clusters for UniProt code Q8Y8D7

Ligand clusters for Q8Y8D7: NAD kinase 1 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)

		Top 6 (of 8) ligand clusters Cluster 1. 58 ligand types 84 ligands Cluster 2. 6 ligand types 10 ligands Cluster 3. 3 ligand types 57 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 2i2aA

Structures

PDB		Schematic diagram
2i2aA
6rbxA
6z64A
6z65A
6rc3A
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Cluster 1 contains 58 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 10 glycerin Glycerol PDB codes: 3v7u(A), 3v7w(A), 3v80(A), 3v8q(A), 5dhp(A), 5dhq(A), 5dhr(A), 5dhs(A), 5dht(A), 5dhu(A).
		2. Ligand: 5NB × 3 5'-Amino-8-Bromo-5'-Deoxyadenosine PDB codes: 3v8n(A), 3v8r(A),
		3. Ligand: MTA × 3 5'-Deoxy-5'-Methylthioadenosine PDB codes: 3v7u(A), 6rr2(A).
		4. Ligand: NAP × 3 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 2i2a(A), 5ejh(A), 5eji(A).
		5. Ligand: 5A8 × 2 5'-Azido-5'-Deoxy-8-[(2-{[2-(1h-Indol-3-Yl) ethyl]amino}-2-Oxoethyl)sulfanyl]adenosine PDB codes: 5dhu(A),
		6. Ligand: 5A9 × 2 5'-Azido-8-[(2-{[2-(3-Bromophenyl)ethyl]amino}-2- Oxoethyl)sulfanyl]-5'-Deoxyadenosine PDB codes: 5dht(A),
		7. Ligand: 5AG × 2 5'-Azido-5'-Deoxy-8-[(2-{[2-(3-Ethynylphenyl) ethyl]amino}-2-Oxoethyl)sulfanyl]adenosine PDB codes: 5dhs(A),
		8. Ligand: 5AQ × 2 8-({2-Oxo-2-[(2-Phenylethyl)amino]ethyl}sulfanyl) adenosine PDB codes: 5dhp(A),
		9. Ligand: A3N × 2 5'-Deoxy-5'-(Prop-2-Yn-1-Ylamino)adenosine PDB codes: 3v7y(A),
		10. Ligand: AOC × 2 5'-O-Prop-2-Yn-1-Yladenosine PDB codes: 3v80(A),
		11. Ligand: CC5 × 2 Beta-D-Erythrofuranosyl-Adenosine PDB codes: 2i2b(A),
		12. Ligand: DTA × 2 (2s,3s,4r,5r,2'S,3'S,4'R,5'R)-2,2'- [Dithiobis(methylene)]bis[5-(6-Amino-9h-Purin-9- Yl) tetrahydrofuran-3,4-Diol] PDB codes: 2i2c(A), 2q5f(A).
		13. Ligand: NAD × 2 Nicotinamide-Adenine-Dinucleotide PDB codes: 2i29(A), 2i2f(A).
		14. Ligand: Z8B × 2 5'-Azido-8-Bromo-5'-Deoxyadenosine PDB codes: 3v8m(A),
		15. Ligand: ZAS × 2 5'-Azido-5'-Deoxyadenosine PDB codes: 3v7w(A),
		16. Ligand: 5AJ × 1 5'-Azido-8-[(2-{[2-(1h-Benzimidazol-2-Yl)ethyl]amino}- 2-Oxoethyl)sulfanyl]-5'-Deoxyadenosine PDB code: 5dhr(A).
		17. Ligand: 5AK × 1 8-[(2-{[2-(3-Bromophenyl)ethyl]amino}-2-Oxoethyl) sulfanyl]adenosine PDB code: 5dhq(A).
		18. Ligand: 5CI × 1 8-Bromo-5'-{[3-Carboxy-2-(Carboxymethyl)-2- Hydroxypropanoyl]amino}-5'-Deoxyadenosine PDB code: 3v8n(A).
		19. Ligand: 5N5 × 1 5'-Amino-5'-Deoxyadenosine PDB code: 3v8q(A).
		20. Ligand: A22 × 1 [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4- Dihydroxytetrahydrofuran-2-Yl]methyl [(2r,3r,4r,5r)- 5- (6-Amino-9h-Purin-9-Yl)-3-Hydroxy-4-(Phosphonooxy) tetrahydrofuran-2- Yl]methyl dihydrogen diphosphate PDB code: 4dy6(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: 5A8 × 2 5'-Azido-5'-Deoxy-8-[(2-{[2-(1h-Indol-3-Yl) ethyl]amino}-2-Oxoethyl)sulfanyl]adenosine PDB codes: 5dhu(A),
		2. Ligand: 5A9 × 2 5'-Azido-8-[(2-{[2-(3-Bromophenyl)ethyl]amino}-2- Oxoethyl)sulfanyl]-5'-Deoxyadenosine PDB codes: 5dht(A),
		3. Ligand: 5AG × 2 5'-Azido-5'-Deoxy-8-[(2-{[2-(3-Ethynylphenyl) ethyl]amino}-2-Oxoethyl)sulfanyl]adenosine PDB codes: 5dhs(A),
		4. Ligand: 5AQ × 2 8-({2-Oxo-2-[(2-Phenylethyl)amino]ethyl}sulfanyl) adenosine PDB codes: 5dhp(A),
		5. Ligand: 5AJ × 1 5'-Azido-8-[(2-{[2-(1h-Benzimidazol-2-Yl)ethyl]amino}- 2-Oxoethyl)sulfanyl]-5'-Deoxyadenosine PDB code: 5dhr(A).
		6. Ligand: 5AK × 1 8-[(2-{[2-(3-Bromophenyl)ethyl]amino}-2-Oxoethyl) sulfanyl]adenosine PDB code: 5dhq(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: CIT × 54 citric acid Citric acid PDB codes: 2i29(A), 2i2b(A), 2i2d(A), 3v7u(A), 3v7w(A), 3v7y(A), 3v80(A), 3v8m(A), 3v8n(A), 3v8p(A), 3v8q(A), 3v8r(A), 4dy6(A), 5dhp(A), 5dhq(A), 5dhr(A), 5dhs(A), 5dht(A), 5ejh(A), 5eji(A), 6rbo(A), 6rbp(A), 6rbq(A), 6rbr(A), 6rbs(A), 6rbt(A), 6rbu(A), 6rbv(A), 6rbw(A), 6rbx(A), 6rby(A), 6rbz(A), 6rc0(A), 6rc1(A), 6rc2(A), 6rc3(A), 6rc4(A), 6rc5(A), 6rc6(A), 6rg6(A), 6rg7(A), 6rg8(A), 6rg9(A), 6rga(A), 6rgb(A), 6rgc(A), 6rgd(A), 6rge(A), 6rgf(A), 6rr2(A), 6z61(A), 6z64(A), 6z65(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2i2a(A), 2i2f(A).
Iod		3. Metal: IOD × 1 PDB code: 2i1w(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 2i2c(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2i2b(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5dht(D).