Ligand clusters for UniProt code P0A6A8

Ligand clusters for P0A6A8: Acyl carrier protein from Escherichia coli (strain K12)

		Top 6 (of 13) ligand clusters Cluster 1. 21 ligand types 51 ligands Cluster 2. 3 ligand types 4 ligands Cluster 3. 3 ligand types 6 ligands Cluster 4. 2 ligand types 7 ligands Cluster 5. 2 ligand types 6 ligands Cluster 6. 2 ligand types 4 ligands
Representative protein: 3ejbA

Structures

PDB		Schematic diagram
3ejbA
1l0iA
1t8kA
6okgB
2fadA
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Cluster 1 contains 21 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Zn		1. Metal: _ZN × 6 PDB codes: 1t8k(A), 2fac(A), 2fad(A), 2fae(A).
		2. Ligand: 8Q1 × 8 S-[2-({N-[(2r)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy) butanoyl]-Beta- Alanyl}amino)ethyl] dodecanethioate PDB codes: 5usr(I), 5wkp(C), 6uxe(C), 6w1d(C), 6wi2(C), 6wih(C).
		3. Ligand: EDO × 8 1,2-Ethanediol PDB codes: 6uxe(C), 6w1d(C), 6wi2(C), 6wih(C),
		4. Ligand: HTG × 5 Heptyl 1-Thio-Beta-D-Glucopyranoside PDB codes: 3ejb(A), 3ejd(A), 3eje(A).
		5. Ligand: MES × 3 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 6uxe(C), 6w1d(C), 6wi2(C).
		6. Ligand: MRJ × 3 N-[2-(Dodecanoylamino)ethyl]-N~3~-[(2r)-2-Hydroxy-3,3- Dimethyl-4-(Phosphonooxy)butanoyl]-Beta- Alaninamide PDB codes: 6okc(C), 6okf(C), 6olt(B).
		7. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 6uxe(C), 6w1d(C).
		8. Ligand: PNS × 2 4'-Phosphopantetheine PDB codes: 5vcb(f), 6w98(B).
		9. Ligand: XLN × 2 N~3~-{(2r)-4-[(Dihydroxyphosphanyl)oxy]-2-Hydroxy-3,3- Dimethylbutanoyl}-N-(3-{[(1z)-Pent-1-En-1- Yl]sulfonyl}propyl)-Beta-Alaninamide PDB codes: 6n3p(G),
		10. Ligand: 6W5 × 1 [(3~{s})-2,2-Dimethyl-3-Oxidanyl-4-Oxidanylidene-4-[[3- Oxidanylidene-3-[2-(Prop-2- Enoylamino) ethylamino]propyl]amino]butyl] dihydrogen phosphate PDB code: 5kof(C).
		11. Ligand: 9EF × 1 N-[2-(Acetylamino)ethyl]-N~3~-[(2r)-2-Hydroxy-3,3- Dimethyl-4-(Phosphonooxy)butanoyl]-Beta- Alaninamide PDB code: 6u0j(B).
		12. Ligand: G9S × 1 S-[2-({N-[(2s)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy) butanoyl]-Beta- Alanyl}amino)ethyl] hexadecanethioate PDB code: 6dfl(B).
		13. Ligand: MU4 × 1 N-[2-(Hexadecanoylamino)ethyl]-N~3~-[(2r)-2-Hydroxy-3, 3-Dimethyl-4-(Phosphonooxy)butanoyl]-Beta- Alaninamide PDB code: 6okg(B).
		14. Ligand: PM4 × 1 S-(2-{[N-(2-Hydroxy-4-{[Hydroxy(oxido)phosphino]oxy}- 3,3-Dimethylbutanoyl)-Beta- Alanyl]amino}ethyl) hexanethioate PDB code: 2fac(A).
		15. Ligand: PM5 × 1 S-(2-{[N-(2-Hydroxy-4-{[Hydroxy(oxido)phosphino]oxy}-3, 3-Dimethylbutanoyl)-Beta- Alanyl]amino}ethyl) heptanethioate PDB code: 2fad(A).
		16. Ligand: PM8 × 1 S-(2-{[N-(2-Hydroxy-4-{[Hydroxy(oxido)phosphino]oxy}- 3,3-Dimethylbutanoyl)-Beta- Alanyl]amino}ethyl) decanethioate PDB code: 2fae(A).
		17. Ligand: PSR × 1 Thiobutyric acid s-{2-[3-(2-Hydroxy-3,3-Dimethyl-4- Phosphonooxy-Butyrylamino)-Propionylamino]- Ethyl} ester PDB code: 1l0i(A).
		18. Ligand: SXM × 1 3-{[2-({N-[(2s)-2-Hydroxy-3,3-Dimethyl-4- (Phosphonooxy)butanoyl]-Beta- Alanyl}amino) ethyl]sulfanyl}-3-Oxopropanoic acid PDB code: 3ny7(B).
		19. Ligand: ZMO × 1 S-[2-({N-[(2s)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy) butanoyl]-Beta-Alanyl}amino)ethyl] (9z)- Octadec-9- Enethioate PDB code: 3eje(A).
		20. Ligand: ZMP × 1 S-[2-({N-[(2s)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy) butanoyl]-Beta- Alanyl}amino)ethyl] tetradecanethioate PDB code: 3ejb(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 2 PDB codes: 1l0i(A), 1t8k(A).
		2. Ligand: CAC × 1 Cacodylate ion PDB code: 1l0i(A).
		3. Ligand: IMD × 1 Imidazole PDB code: 1t8k(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 1 PDB code: 1t8k(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 6uxe(C), 6w1d(C), 6wi2(C), 6wih(C).
		3. Ligand: IMD × 1 Imidazole PDB code: 1t8k(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 6 PDB codes: 1l0i(A), 1t8k(A), 2fac(A).
		2. Ligand: IMD × 1 Imidazole PDB code: 1t8k(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 5 PDB codes: 1l0i(A), 1t8k(A), 2fac(A), 2fad(A), 2fae(A).
		2. Ligand: IMD × 1 Imidazole PDB code: 1t8k(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 3 PDB codes: 2fac(A), 2fad(A), 2fae(A).
		2. Ligand: IMD × 1 Imidazole PDB code: 1t8k(A).