Ligand clusters for UniProt code Q15119

Ligand clusters for Q15119: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 21 ligand types 28 ligands Cluster 2. 4 ligand types 5 ligands Cluster 3. 1 ligand type 7 ligands Cluster 4. 4 ligand types 4 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 6linA

Structures

PDB		Schematic diagram
6linA
6lioA
2bu8A
5m4mA
2bu7A
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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
		1. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2bu8(A).
		2. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 2bu2(A).
_Mg		3. Metal: _MG × 2 PDB codes: 2bu2(A), 2bu8(A).
		4. Ligand: TLA × 6 L(+)-Tartaric acid PDB codes: 4mp2(A), 4mp7(A), 4mpc(A), 4mpe(A), 4mpn(A), 5j71(A).
		5. Ligand: SO4 × 2 Sulfate ion PDB codes: 6lin(A), 6lio(A).
		6. Ligand: 7F9 × 1 ~{N}-[2-(Ethylamino)-2-Oxidanylidene-Ethyl]-~{N}-(4- Methoxyphenyl)-2,4-Bis(oxidanyl)benzamide PDB code: 5m4k(A).
		7. Ligand: 7FE × 1 ~{N}-[4-(2-Chloranyl-5-Methyl-Pyrimidin-4-Yl)phenyl]-2, 4-Bis(oxidanyl)-~{N}-[[4-(Pyrrolidin-1- Ylmethyl) phenyl]methyl]benzamide PDB code: 5m4p(A).
		8. Ligand: 7FV × 1 [2,4-Bis(oxidanyl)phenyl]-[(2~{s})-2-Methyl-6-(3- Methylquinolin-2-Yl)-3,4-Dihydro-2~{h}-Quinolin- 1- Yl]methanone PDB code: 5m4n(A).
		9. Ligand: 7FW × 1 ~{N}-[4-[Methyl(quinoxalin-6-Ylmethyl) carbamoyl]phenyl]-2,4-Bis(oxidanyl)-~{N}- (Phenylmethyl)benzamide PDB code: 5m4m(A).
		10. Ligand: 7TJ × 1 N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-2,4- Dihydroxy-N-(4- {[(Trifluoroacetyl) amino]methyl}benzyl)benzamide PDB code: 4v26(A).
		11. Ligand: EH0 × 1 4-[[[4-[3,5-Bis(fluoranyl)-4-(4-Oxidanyl-4- Oxidanylidene-Butoxy)phenyl]-5-[5-Chloranyl-2,4- Bis(oxidanyl)phenyl]-1,2-Oxazol-3- Yl]carbonylamino]methyl]benzoic acid PDB code: 6lin(A).
		12. Ligand: EH3 × 1 4-[[[5-[5-Chloranyl-2,4-Bis(oxidanyl)phenyl]-4-[4-(1- Methylsulfonylpiperidin-4-Yl)oxyphenyl]-1,2- Oxazol-3- Yl]carbonylamino]methyl]cyclohexane-1-Carboxylic acid PDB code: 6lio(A).
		13. Ligand: P35 × 1 4-({5-[(Piperidin-4-Yl)amino]-1,3-Dihydro-2h-Isoindol- 2-Yl}sulfonyl)benzene-1,3-Diol PDB code: 5j71(A).
		14. Ligand: P46 × 1 (3s)-3-Amino-4-[4-({2-[(2,4-Dihydroxyphenyl)sulfonyl]- 2h-Isoindol-5-Yl}amino)piperidin-1-Yl]-4- Oxobutanamide PDB code: 5j6a(A).
		15. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6lil(A).
		16. Ligand: PFT × 1 4-(1,3-Dihydro-2h-Isoindol-2-Ylcarbonyl)benzene-1,3- Diol PDB code: 4mp7(A).
		17. Ligand: PV0 × 1 2-[(2,4-Dihydroxyphenyl)sulfonyl]-2,3-Dihydro-1h- Isoindole-4,6-Diol PDB code: 4mpn(A).
		18. Ligand: PV1 × 1 (5-Bromo-2,4-Dihydroxyphenyl)(1,3-Dihydro-2h-Isoindol- 2-Yl)methanone PDB code: 4mp2(A).
		19. Ligand: PV2 × 1 4-(Isoindolin-2-Ylsulfonyl)benzene-1,3-Diol PDB code: 4mpc(A).
		20. Ligand: PV8 × 1 4-[(5-Hydroxy-1,3-Dihydro-2h-Isoindol-2-Yl) sulfonyl]benzene-1,3-Diol PDB code: 4mpe(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: 6lio(A).
		2. Ligand: TF1 × 2 4-({(2r,5s)-2,5-Dimethyl-4-[(2r)-3,3,3-Trifluoro-2- Hydroxy-2-Methylpropanoyl]piperazin-1- Yl}carbonyl) benzonitrile PDB codes: 2bu2(A), 2bu5(A).
		3. Ligand: EGX × 1 1-(1-Piperidin-4-Ylpyrazol-4-Yl)anthracene-9,10-Dione PDB code: 6lil(A).
		4. Ligand: TF2 × 1 (N-{4-[(Ethylanilino)sulfonyl]-2-Methylphenyl}-3,3,3- Trifluoro-2-Hydroxy-2-Methylpropanamide PDB code: 2bu6(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: TF3 × 7 N-(2-Aminoethyl)-2-{3-Chloro-4-[(4-Isopropylbenzyl) oxy]phenyl} acetamide PDB codes: 2bu7(A), 4v25(A), 4v26(A), 5m4k(A), 5m4m(A), 5m4n(A), 5m4p(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6lin(A).
		2. Ligand: FLC × 1 Citrate anion PDB code: 6lil(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6lio(A).
_Cl		4. Metal: _CL × 1 PDB code: 5m4n(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: TF4 × 1 dichloroacetic acid Dichloro-Acetic acid PDB code: 2bu8(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6lil(A).