Ligand clusters for UniProt code Q8I4S1

Ligand clusters for Q8I4S1: Thymidylate kinase from Plasmodium falciparum (isolate 3D7)

		Top 6 (of 9) ligand clusters Cluster 1. 10 ligand types 19 ligands Cluster 2. 3 ligand types 4 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 3 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 2wwfA

Structures

PDB		Schematic diagram
2wwfA
2wwgA
2wwiA
2yofA
2yohA
		more ...

Cluster 1 contains 10 ligand types

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Ligand		Description
_Na		1. Metal: _NA × 6 PDB codes: 2wwf(A), 2wwg(A), 2wwh(A),
		2. Ligand: ADP × 4 Adenosine-5'-Diphosphate PDB codes: 2wwf(A), 2wwg(A), 2wwi(A),
		3. Ligand: ATM × 2 3'-Azido-3'-Deoxythymidine-5'-Monophosphate PDB codes: 2wwi(A),
		4. Ligand: 74W × 1 1-[4-Chloranyl-3-(Trifluoromethyl)phenyl]-3- [[(2r,3s)-5-[5-Methyl-2,4- Bis(oxidanylidene) pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methyl] thiourea PDB code: 2yof(A).
		5. Ligand: 74X × 1 1-[4-Chloranyl-3-(Trifluoromethyl)phenyl]-3- [[(2r,3s)-5-[5-Methyl-2,4- Bis(oxidanylidene) pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methyl] thiourea PDB code: 2yog(A).
		6. Ligand: DGP × 1 2'-Deoxyguanosine-5'-Monophosphate PDB code: 2wwg(A).
		7. Ligand: T5A × 1 P1-(5'-Adenosyl)p5-(5'-Thymidyl) pentaphosphate PDB code: 2wwh(A).
		8. Ligand: TAM × 1 Tris(hydroxyethyl)aminomethane PDB code: 2yof(A).
		9. Ligand: TMP × 1 Thymidine-5'-Phosphate PDB code: 2wwf(A).
		10. Ligand: WMJ × 1 1-[[(2r,3s,5s)-5-[5-Methyl-2,4- Bis(oxidanylidene)pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2- Methyl]-3- (4-Nitrophenyl)urea PDB code: 2yoh(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2wwg(A),
		2. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2wwi(B).
_Na		3. Metal: _NA × 1 PDB code: 2wwf(A).

Cluster 3 contains 1 ligand type

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

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 2wwf(A), 2wwg(A),

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2wwf(A), 2wwg(A).

Cluster 6 contains 1 ligand type

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