Ligand clusters for UniProt code P36639

Ligand clusters for P36639: 7,8-dihydro-8-oxoguanine triphosphatase from Homo sapiens

		Top 6 (of 24) ligand clusters Cluster 1. 61 ligand types 102 ligands Cluster 2. 3 ligand types 13 ligands Cluster 3. 3 ligand types 35 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 3 ligand types 6 ligands Cluster 6. 3 ligand types 35 ligands
Representative protein: 6aa3A

Structures

PDB		Schematic diagram
6aa3A
6jvpA
6gllA
6glqA
6jvqA
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Cluster 1 contains 61 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5fsm(A), 5fso(A), 6glt(A).
		2. Ligand: VGH × 2 crizotinib 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1- Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine PDB codes: 4c9w(A), 6imz(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 5gho(A).
		4. Ligand: F3E × 9 4-Phenylpyrimidin-2-Amine PDB codes: 6gle(A), 6gli(A), 6glj(A), 6gln(A), 6glr(A), 6gls(A), 6glv(A).
		5. Ligand: BU8 × 8 1~{h}-Imidazo[4,5-B]pyridin-2-Amine PDB codes: 6eq2(A), 6glg(A), 6glh(A), 6gll(A), 6glm(A), 6glp(A), 6glq(A), 6glu(A).
		6. Ligand: ACT × 7 Acetate ion PDB codes: 3zr1(A), 5fsk(A), 5fsn(A), 6glg(A), 6gll(A), 6glp(A), 6glr(A).
		7. Ligand: SO4 × 7 Sulfate ion PDB codes: 4n1u(A), 5ngr(A), 5ngs(A), 6eq4(A), 6glr(A).
		8. Ligand: 8DG × 5 8-Oxo-2'-Deoxyguanosine-5'-Triphosphate PDB codes: 5fsi(A), 5ghi(A), 5ghm(A), 6ijy(A), 6ili(A).
_Na		9. Metal: _NA × 5 PDB codes: 5ghm(A), 5ghp(A), 5ws7(A), 6ijy(A),
		10. Ligand: 6U4 × 4 [[(2r,3s,5r)-5-(6-Azanyl-2-Oxidanylidene-1h-Purin-9- Yl)-3-Oxidanyl-Oxolan-2-Yl]methoxy-Oxidanyl- Phosphoryl] phosphono hydrogen phosphate PDB codes: 5ghj(A), 5ghn(A), 5ghq(A), 5ws7(A).
		11. Ligand: 2GD × 1 6-(2,3-Dichlorophenyl)-N~4~-Methylpyrimidine-2,4- Diamine PDB code: 4n1t(A).
		12. Ligand: 2GE × 1 N~4~-Cyclopropyl-6-(2,3-Dichlorophenyl)pyrimidine-2,4- Diamine PDB code: 4n1u(A).
		13. Ligand: 58T × 1 13-(Methylamino)-23,24,25-Trioxa-17,18,19,21- Tetrazatetracyclo-Tricosa- 1(3),2(10),4(11), 12(14),13(18),16(19)-Hexan-15-One PDB code: 5anu(A).
		14. Ligand: 6MA × 1 N6-Methyl-Deoxy-Adenosine-5'-Monophosphate PDB code: 6qvo(A).
		15. Ligand: 6OG × 1 6-O-Methyl guanosine-5'-Monophosphate PDB code: 5otm(A).
		16. Ligand: 6Q3 × 1 3-(2-Amino-6-Methyl-Pyrimidin-4-Yl)oxypropan-1-Ol PDB code: 5fsn(A).
		17. Ligand: 8JF × 1 N-[5-(2,3-Dimethylphenyl)-1,6-Naphthyridin-7- Yl]acetamide PDB code: 6us3(A).
		18. Ligand: 8OG × 1 8-Oxo-2'-Deoxy-Guanosine-5'-Monophosphate PDB code: 3zr0(A).
		19. Ligand: 8WT × 1 8-Methylsulfanyl-7~{h}-Purin-6-Amine PDB code: 5ngr(A).
		20. Ligand: 8WW × 1 6-(2-Phenylethylsulfanyl)-7~{h}-Purin-2-Amine PDB code: 5ngs(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3q93(A), 6f23(A).
		2. Ligand: SO4 × 10 Sulfate ion PDB codes: 4c9w(A), 4c9x(A), 4n1t(A), 6f22(A), 6f23(A), 6glh(A), 6glj(A), 6glm(A), 6glv(A), 6qvo(A).
		3. Ligand: O4B × 1 1,4,7,10,13,16-Hexaoxacyclooctadecane PDB code: 6imz(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5nhy(A).
		2. Ligand: SO4 × 33 Sulfate ion PDB codes: 3whw(A), 3zr1(A), 4c9w(A), 4c9x(A), 4n1t(A), 5fsl(A), 5ngr(A), 5ngs(A), 5ngt(A), 5nhy(A), 5otm(A), 6f1x(A), 6f20(A), 6f22(A), 6f23(A), 6glg(A), 6glj(A), 6glk(A), 6gll(A), 6gln(A), 6glo(A), 6glp(A), 6glq(A), 6glr(A), 6gls(A), 6glv(A),
		3. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 7esf(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: O4B × 1 1,4,7,10,13,16-Hexaoxacyclooctadecane PDB code: 6imz(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 4 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5anu(A), 5fsm(A), 5fsn(A), 5fso(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 7esf(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 5ngt(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5fsm(A).
		2. Ligand: SO4 × 33 Sulfate ion PDB codes: 3q93(A), 3whw(A), 3zr0(A), 3zr1(A), 4c9w(A), 4c9x(A), 4n1t(A), 5ngs(A), 5nhy(A), 5otm(A), 6eq3(A), 6eq4(A), 6eq5(A), 6eq6(A), 6eq7(A), 6f1x(A), 6f20(A), 6f22(A), 6f23(A), 6gle(A), 6glh(A), 6glj(A), 6glk(A), 6glm(A), 6gln(A), 6glo(A), 6glp(A), 6glq(A), 6glr(A), 6gls(A), 6glv(A), 6qvo(A).
		3. Ligand: ACT × 1 Acetate ion PDB code: 5fso(A).