Ligand clusters for UniProt code P00338

Ligand clusters for P00338: L-lactate dehydrogenase A chain from Homo sapiens

		Top 6 (of 16) ligand clusters Cluster 1. 36 ligand types 71 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 4 ligand types 5 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 8 ligand types 46 ligands
Representative protein: 4ojnA

Structures

PDB		Schematic diagram
4ojnA
4qsmA
4qt0A
4l4sH
4r69A
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Cluster 1 contains 36 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: NAI × 18 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB codes: 1i10(A), 4jnk(A), 4l4s(H), 4m49(A), 4okn(A), 4qo7(A), 4qo8(A), 4r68(A), 4r69(A), 4rls(A), 5w8k(A), 5w8l(A), 5zjd(A), 6mv8(A), 6mva(A), 6q0d(A), 6q13(A), 6sbu(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5w8j(A).
_Zn		3. Metal: _ZN × 1 PDB code: 5w8i(A).
		4. Ligand: OXM × 1 Oxamic acid PDB code: 1i10(A).
		5. Ligand: NAD × 10 Nicotinamide-Adenine-Dinucleotide PDB codes: 4zvv(A), 5ixy(A), 6bad(A), 6bag(A), 6bax(A), 6baz(A), 6bb0(A), 6bb1(A), 6bb2(A), 6bb3(A).
		6. Ligand: 9Y7 × 3 2-{3-(3,4-Difluorophenyl)-5-Hydroxy-4-[(4- Sulfamoylphenyl)methyl]-1h-Pyrazol-1-Yl}-1,3-Thiazole- 4-Carboxylic acid PDB codes: 5w8j(A), 5w8k(A).
		7. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 5w8l(A), 6q13(A).
		8. Ligand: 9Y1 × 2 2-[3-(4-Fluorophenyl)-5-(Trifluoromethyl)-1h-Pyrazol-1- Yl]-1,3-Thiazole-4-Carboxylic acid PDB codes: 5w8h(A),
		9. Ligand: D3S × 2 (6s)-3-[(2-Chlorophenyl)sulfanyl]-4-Hydroxy-6-(2- Hydroxyphenyl)-6-Phenyl-5,6-Dihydro-2h-Pyran-2- One PDB codes: 6bb0(A), 6mv8(A).
		10. Ligand: D4S × 2 (6r)-6-(3-Aminophenyl)-3-[(2-Chlorophenyl)sulfanyl]-4- Hydroxy-6-(Thiophen-3-Yl)-5,6-Dihydro-2h- Pyran-2-One PDB codes: 6bax(A), 6mva(A).
		11. Ligand: LAC × 2 Lactic acid PDB codes: 6baz(A), 6bb2(A).
		12. Ligand: MLI × 2 Malonate ion PDB codes: 5zjd(A), 5zje(A).
		13. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 4ojn(A).
		14. Ligand: 22Y × 1 3-(5-Amino-6-{[(1r)-1-Phenylethyl]amino}pyrazin-2-Yl)- 4-Chlorobenzoic acid PDB code: 4m49(A).
		15. Ligand: 36U × 1 (5s)-2-[(2-Chlorophenyl)sulfanyl]-5-(2,6- Dichlorophenyl)-3-Hydroxycyclohex-2-En-1-One PDB code: 4qo8(A).
		16. Ligand: 36V × 1 Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane- 1,3-Dione PDB code: 4qo7(A).
		17. Ligand: 38K × 1 3-{[7-(2,4-Dimethoxypyrimidin-5-Yl)-3- Sulfamoylquinolin-4-Yl]amino}benzoic acid PDB code: 4qsm(A).
		18. Ligand: 38Q × 1 3-{[3-Carbamoyl-7-(2,4-Dimethoxypyrimidin-5-Yl) quinolin-4-Yl]amino}benzoic acid PDB code: 4qt0(A).
		19. Ligand: 6EY × 1 (6r)-3-[(2-Chlorophenyl)sulfanyl]-4-Hydroxy-6-(3- Hydroxyphenyl)-6-(Thiophen-3-Yl)-5,6- Dihydropyridin- 2(1h)-One PDB code: 5ixs(A).
		20. Ligand: 88N × 1 {4-[4-({3-[(2-Methyl-1,3-Benzothiazol-6-Yl) amino]-3-Oxopropyl}amino)-4- Oxobutyl]benzyl} propanedioic acid PDB code: 4ajp(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: 9YA × 1 2-{3-([1,1'-Biphenyl]-3-Yl)-5-(Cyclopropylmethyl)-4- [(4-Sulfamoylphenyl)methyl]-1h-Pyrazol-1-Yl}- 1,3- Thiazole-4-Carboxylic acid PDB code: 5w8l(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5w8l(A).
		3. Ligand: P8V × 1 2-[5-(Cyclopropylmethyl)-4-[(3-Fluoro-4- Sulfamoylphenyl)methyl]-3-{3-[(5-Methylthiophen-2- Yl) ethynyl]phenyl}-1h-Pyrazol-1-Yl]-1,3-Thiazole-4- Carboxylic acid PDB code: 6q13(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5w8k(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6q13(A),
		3. Ligand: L5K × 1 ~{N}-[3-[(7-Nitrodibenzofuran-2-Yl) sulfonylamino]phenyl]-1-Oxidanyl-Cyclopropane-1- Carboxamide PDB code: 6sbv(A).
		4. Ligand: L5N × 1 4-[[4-[(5-Chloranylthiophen-2-Yl)carbonylamino]-1,3- Bis(oxidanylidene)isoindol-2- Yl]methyl]benzoic acid PDB code: 6sbu(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: 38K × 1 3-{[7-(2,4-Dimethoxypyrimidin-5-Yl)-3- Sulfamoylquinolin-4-Yl]amino}benzoic acid PDB code: 4qsm(A).
		2. Ligand: 38Q × 1 3-{[3-Carbamoyl-7-(2,4-Dimethoxypyrimidin-5-Yl) quinolin-4-Yl]amino}benzoic acid PDB code: 4qt0(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: L5K × 1 ~{N}-[3-[(7-Nitrodibenzofuran-2-Yl) sulfonylamino]phenyl]-1-Oxidanyl-Cyclopropane-1- Carboxamide PDB code: 6sbv(A).
		2. Ligand: L5N × 1 4-[[4-[(5-Chloranylthiophen-2-Yl)carbonylamino]-1,3- Bis(oxidanylidene)isoindol-2- Yl]methyl]benzoic acid PDB code: 6sbu(A).

Cluster 6 contains 8 ligand types

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Ligand		Description
		1. Ligand: CIT × 2 citric acid Citric acid PDB codes: 5w8i(A),
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5w8i(A).
		3. Ligand: ACT × 2 Acetate ion PDB codes: 1i10(A),
		4. Ligand: SO4 × 32 Sulfate ion PDB codes: 4ajp(A), 4jnk(A), 4m49(A), 4okn(A), 4qo8(A), 4rls(A), 4zvv(A), 5ixs(A), 5ixy(A), 6bad(A), 6bag(A), 6bax(A), 6baz(A), 6bb0(A), 6bb1(A), 6bb2(A), 6bb3(A), 6mv8(A), 6mva(A).
		5. Ligand: ACT × 2 Acetate ion PDB codes: 5w8h(A),
		6. Ligand: MLA × 4 Malonic acid PDB codes: 5w8j(A), 5w8k(A),
		7. Ligand: PO4 × 2 Phosphate ion PDB codes: 6q0d(A),
		8. Ligand: 9G9 × 1 5,5'-[(2r,3s)-2,3-Dimethylbutane-1,4-Diyl]bis(2h-1,3- Benzodioxole) PDB code: 5zjf(A).