Ligand clusters for UniProt code P80457

Ligand clusters for P80457: Xanthine dehydrogenase/oxidase from Bos taurus

		Top 6 (of 20) ligand clusters Cluster 1. 22 ligand types 54 ligands Cluster 2. 4 ligand types 46 ligands Cluster 3. 5 ligand types 13 ligands Cluster 4. 1 ligand type 5 ligands Cluster 5. 1 ligand type 9 ligands Cluster 6. 1 ligand type 9 ligands
Representative protein: 1fo4A

Structures

PDB		Schematic diagram
1fo4A
3unaA
1v97A
3am9A
3uncA
		more ...

Cluster 1 contains 22 ligand types (of which only 20 are listed. Click for all)

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: SAL × 7 salicylic acid 2-Hydroxybenzoic acid PDB codes: 1fiq(C), 1fo4(A), 3ax7(A), 3ax9(A), 3una(A), 3unc(A), 3uni(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 3unc(A).
		3. Ligand: PM6 × 1 mercaptopurine 9h-Purine-6-Thiol PDB code: 3ns1(C).
		4. Ligand: TEI × 1 febuxostat 2-(3-Cyano-4-Isobutoxy-Phenyl)-4-Methyl-5-Thiazole- Carboxylic acid PDB code: 1n5x(A).
		5. Ligand: 290 × 1 6-Methyl-3,9-Dihydro-2h-Purin-2-One PDB code: 3b9j(C).
		6. Ligand: FYX × 1 4-(5-Pyridin-4-Yl-1h-1,2,4-Triazol-3-Yl)pyridine-2- Carbonitrile PDB code: 1v97(A).
		7. Ligand: YSH × 1 1-[3-Cyano-4-(Neopentyloxy)phenyl]-1h-Pyrazole-4- Carboxylic acid PDB code: 1vdv(A).
		8. Ligand: MTE-MOS × 23 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, MOS=Dioxothiomolybdenum(VI) ion. PDB codes: 1fiq(A), 1fo4(A), 1n5x(A), 1v97(A), 1vdv(A), 3b9j(A), 3etr(A), 3nrz(A), 3ns1(A), 3nvw(A), 3nvy(A), 3nvz(A), 3una(A), 3unc(A), 3uni(A).
		9. Ligand: MTE-MOM × 2 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, MOM=Hydroxy(dioxo)molybdenum. PDB codes: 3eub(A),
		10. Ligand: MTE-MOS-AST × 2 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, MOS=Dioxothiomolybdenum(VI) ion, AST=Arsenite. PDB codes: 3nvv(A),
		11. Ligand: MTE-RMO × 2 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, RMO=[Arsenothionito(2-)-Kappa~2~o,S](oxo)molybdenum. PDB codes: 3sr6(A),
		12. Ligand: XAX × 2 {[(5ar,8r,9ar)-2-Amino-4-Oxo-6,7-Di(sulfanyl-Kappas)-3, 5,5a,8,9a,10-Hexahydro-4h-Pyrano[3,2- G]pteridin-8- Yl]methyl dihydrogenato(2-) Phosphate}(hydroxy) oxo(thioxo)molybdenum PDB codes: 3ax7(A), 3ax9(A).
		13. Ligand: 141 × 1 Oxypurinol PDB code: 3bdj(A).
		14. Ligand: GUN × 1 Guanine PDB code: 3nvw(C).
		15. Ligand: HPA × 1 Hypoxanthine PDB code: 3nrz(C).
		16. Ligand: I3A × 1 1h-Indole-3-Carbaldehyde PDB code: 3nvz(C).
		17. Ligand: LUZ × 1 Pteridine-2,4(1h,3h)-Dione PDB code: 3etr(C).
		18. Ligand: MTE-MOS-FYO × 1 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, MOS=Dioxothiomolybdenum(VI) ion, FYO=4-[5-(2,6-Dioxo-1,2,3,6-Tetrahydropyridin-4-Yl)-1h-1,2, 4-Triazol-3-Yl]-6-Oxo-1,6-Dihydropyridine- 2- Carbonitrile. PDB code: 3am9(A).
		19. Ligand: MTE-MOS-URC × 1 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, MOS=Dioxothiomolybdenum(VI) ion, URC=Uric acid. PDB code: 3amz(A).
		20. Ligand: MTE-MOW × 1 MTE=Phosphonic acidmono-(2-Amino-5,6-Dimercapto-4-Oxo-3,7, 8a,9,10,10a-Hexahydro-4h-8-Oxa-1,3,9,10- Tetraaza- Anthracen-7-Ylmethyl)ester, MOW=Oxo(sulfanyl)molybdenum(IV) ion. PDB code: 3bdj(A).
+ more. Press for full list

Cluster 2 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: FAD × 37 flavin adenine dinucleotide Flavin-Adenine dinucleotide PDB codes: 1fiq(A), 1fo4(A), 1n5x(A), 1v97(A), 1vdv(A), 3am9(A), 3amz(A), 3ax7(A), 3ax9(A), 3b9j(A), 3bdj(A), 3etr(A), 3eub(A), 3nrz(A), 3ns1(A), 3nvv(A), 3nvw(A), 3nvy(A), 3nvz(A), 3sr6(A), 3una(A), 3unc(A), 3uni(A).
		2. Ligand: GOL × 6 glycerin Glycerol PDB codes: 1vdv(A), 3ax7(A), 3ax9(A), 3unc(A),
		3. Ligand: NAI × 2 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB codes: 3amz(A), 3uni(A).
		4. Ligand: NAD × 1 Nicotinamide-Adenine-Dinucleotide PDB code: 3una(A).

Cluster 3 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: ACY × 2 acetic acid Acetic acid PDB codes: 1v97(A), 1vdv(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 1fiq(C), 1fo4(A).
		3. Ligand: BCT × 4 Bicarbonate ion PDB codes: 3am9(A), 3amz(A), 3ax7(A), 3ax9(A).
		4. Ligand: CO3 × 4 Carbonate ion PDB codes: 3bdj(A), 3una(A), 3unc(A), 3uni(A).
_Ca		5. Metal: _CA × 1 PDB code: 3etr(C).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 1fo4(A), 1v97(A), 1vdv(A), 3una(A), 3unc(A).

Cluster 5 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 9 glycerin Glycerol PDB codes: 1v97(A), 1vdv(A), 3amz(A), 3ax7(A), 3ax9(A), 3bdj(A), 3una(A), 3unc(A), 3uni(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 9 glycerin Glycerol PDB codes: 1v97(A), 1vdv(A), 3amz(A), 3ax7(A), 3ax9(A), 3bdj(A), 3una(A), 3unc(A), 3uni(A).