Ligand clusters for UniProt code C3W5S0

Ligand clusters for C3W5S0: Polymerase acidic protein from Influenza A virus (strain swl A/California/04/2009 H1N1)

		Top 6 (of 10) ligand clusters Cluster 1. 46 ligand types 246 ligands Cluster 2. 4 ligand types 5 ligands Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 3 ligands
Representative protein: 4awhA

Structures

PDB		Schematic diagram
4awhA
4avlD
4avqA
4awgC
4avlB
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Cluster 1 contains 46 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Mn		1. Metal: _MN × 136 PDB codes: 4avg(A), 4avl(A), 4avq(A), 4awf(A), 4awg(A), 4awh(A), 4awk(A), 4awm(A), 5ccy(A), 5cgv(A), 5cl0(A), 5czn(A), 5d2o(A), 5d42(A), 5d4g(A), 5d8u(A), 5d9j(A), 5dbs(A), 5deb(A), 5des(A), 5ega(A), 5vp8(A), 5vpt(A), 5vpx(A), 5vqn(A), 5w3i(A), 5w44(A), 5w73(A), 5w7u(A), 5w92(A), 5w9g(A), 5wa6(A), 5wa7(A), 5wap(A), 5wb3(A), 5wcs(A), 5wct(A), 5wdc(A), 5wdn(A), 5wdw(A), 5we7(A), 5we9(A), 5web(A), 5wef(A), 5wei(A), 5wf3(A), 5wfm(A), 5wfw(A), 5wfz(A), 5wg9(A), 6dcy(A), 6dcz(A), 6dzq(A), 6e0q(A), 6e3m(A), 6e3n(A), 6e3o(A), 6e3p(A), 6e4c(A), 6e6v(A), 6e6w(A), 6e6x(A), 6fs6(A), 6fs7(A), 7k0w(A),
_Mg		2. Metal: _MG × 3 PDB codes: 4avq(A), 5w44(A), 5we9(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 5cgv(A).
		4. Ligand: HOG × 1 water 6-(3-Carboxyphenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic acid PDB code: 6e3m(A).
		5. Ligand: SO4 × 28 Sulfate ion PDB codes: 4awg(A), 5czn(A), 5dbs(A), 5vp8(A), 5vpt(A), 5vpx(A), 5vqn(A), 5vrj(A), 5w73(A), 5w9g(A), 5wa7(A), 5wap(A), 5wb3(A), 5wdc(A), 5web(A), 5wei(A), 5wf3(A), 5wfm(A), 5wfw(A), 5wfz(A), 5wg9(A), 7k0w(A).
		6. Ligand: EDO × 10 1,2-Ethanediol PDB codes: 5we9(A), 6dzq(A), 6e0q(A), 6e3m(A), 6e4c(A), 6e6v(A), 6e6x(A).
		7. Ligand: TMP × 6 Thymidine-5'-Phosphate PDB codes: 4avl(A), 5ccy(A), 5d42(A), 5dbs(A).
		8. Ligand: U5P × 6 Uridine-5'-Monophosphate PDB codes: 4awh(A), 5cl0(A), 5d4g(A), 5deb(A).
		9. Ligand: R07 × 4 1-[(11s)-6,11-Dihydrodibenzo[b,E]thiepin-11-Yl]-5- Hydroxy-3-[(2r)-1,1,1-Trifluoropropan-2-Yl]-2,3- Dihydro-1h-Pyrido[2,1-F][1,2,4]triazine-4,6-Dione PDB codes: 5vpt(A), 5vpx(A), 5vqn(A), 5vrj(A).
		10. Ligand: 0N8 × 3 (2z)-4-[1-Benzyl-4-(4-Chlorobenzyl)piperidin-4-Yl]-2- Hydroxy-4-Oxobut-2-Enoic acid PDB codes: 5cgv(A), 5d8u(A), 5d9j(A).
		11. Ligand: CI3 × 3 (2z)-4-[(3s)-1-Benzyl-3-(4-Chlorobenzyl) piperidin-3-Yl]-2-Hydroxy-4-Oxobut-2-Enoic acid PDB codes: 4awg(A),
		12. Ligand: E4Z × 3 Baloxavir acid PDB codes: 6fs6(A), 6fs7(A), 7k0w(A).
		13. Ligand: GY6 × 3 2-[(2s)-1-(2,6-Dichlorobenzene-1-Carbonyl)pyrrolidin-2- Yl]-5-Hydroxy-6-Oxo-N-(2-Phenylethyl)-1,6- Dihydropyrimidine-4-Carboxamide PDB codes: 5w44(A), 5wef(A), 5wei(A).
		14. Ligand: GYA × 2 2-[(2s)-1-{[(2-Chlorophenyl)sulfanyl]acetyl}pyrrolidin- 2-Yl]-N-(5,6-Dimethoxy-2,3-Dihydro-1h- Inden-2-Yl)-5- Hydroxy-6-Oxo-1,6-Dihydropyrimidine-4-Carboxamide PDB codes: 5wb3(A), 5wfw(A).
		15. Ligand: HO1 × 2 3-Hydroxy-4-Oxo-6-[3-(1h-Tetrazol-5-Yl)phenyl]-1,4- Dihydropyridine-2-Carboxylic acid PDB codes: 6e3p(A),
		16. Ligand: KU0 × 2 2-[(2s)-1-(3,5-Dichloropyridine-4-Carbonyl)pyrrolidin- 2-Yl]-5-Hydroxy-6-Oxo-N-[2- (Phenylsulfonyl)ethyl]-1,6- Dihydropyrimidine-4-Carboxamide PDB codes: 5w92(A), 5wfz(A).
		17. Ligand: KU2 × 2 2-[(2s)-1-{[(2-Chlorophenyl)sulfanyl]acetyl}pyrrolidin- 2-Yl]-5-Hydroxy-6-Oxo-N-(2-Phenoxyethyl)- 1,6- Dihydropyrimidine-4-Carboxamide PDB codes: 5w9g(A), 5wf3(A).
		18. Ligand: KU4 × 2 2-{(2s)-1-[3-(2-Chlorophenyl)propanoyl]pyrrolidin-2- Yl}-5-Hydroxy-6-Oxo-N-(2-Phenoxyethyl)-1,6- Dihydropyrimidine-4-Carboxamide PDB codes: 5wa7(A), 5wg9(A).
		19. Ligand: KU5 × 2 2-[(2s)-1-{[(2-Chlorophenyl)sulfanyl]acetyl}pyrrolidin- 2-Yl]-5-Hydroxy-6-Oxo-N-[2- (Phenylsulfonyl)ethyl]-1,6- Dihydropyrimidine-4-Carboxamide PDB codes: 5web(A), 5wfm(A).
		20. Ligand: 8KU × 1 2-[(2s)-1-{[(2-Chlorophenyl)sulfanyl]acetyl}pyrrolidin- 2-Yl]-N-{[(2s)-2,3-Dihydro-1-Benzofuran-2- Yl]methyl}- 5-Hydroxy-6-Oxo-1,6-Dihydropyrimidine-4-Carboxamide PDB code: 5wdw(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5w3i(A).
		2. Ligand: 9HD × 2 1-[(3r,5s,7r)-1,5,7,9-Tetrakis(2-Oxopyrrolidin-1-Yl) nonan-3-Yl]-1,3-Dihydro-2h-Pyrrol-2-One PDB codes: 5vp8(A), 5w92(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5wef(A).
		4. Ligand: MLT × 1 D-Malate PDB code: 5we7(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: E4Z × 2 Baloxavir acid PDB codes: 6fs6(A), 6fs7(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: KDH × 1 (2r,3r)-5,7-Dihydroxy-2-(3,4,5- Trihydroxyphenyl)-3,4-Dihydro-2h-Chromen-3-Yl 3,4,5- Trihydroxybenzoate PDB code: 4awm(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5wfz(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 4awg(A),