Ligand clusters for UniProt code Q5ZUA2

Ligand clusters for Q5ZUA2: Ectonucleoside triphosphate diphosphohydrolase I from Legionella pneumophila subsp. pneumophila (strain Philadelphia 1 / ATCC 33152 / DSM 7513)

		Top 6 (of 20) ligand clusters Cluster 1. 18 ligand types 27 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 2 ligand types 13 ligands Cluster 5. 2 ligand types 13 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 4bvpA

Structures

PDB		Schematic diagram
4bvpA
4brmA
4br9A
4brkA
4briA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4brk(A), 4bvp(A).
		2. Ligand: ANP × 3 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 3aar(A), 4bra(A), 4brd(A).
		3. Ligand: AMP × 2 Adenosine monophosphate PDB codes: 4brn(A), 4brq(A).
		4. Ligand: AU1 × 2 5'-O-[(R)-Hydroxy(phosphonoamino)phosphoryl]adenosine PDB codes: 4br7(A), 4brc(A).
		5. Ligand: MOO × 2 Molybdate ion PDB codes: 4brf(A), 4bvp(A).
		6. Ligand: PO4 × 2 Phosphate ion PDB codes: 4brq(A),
		7. Ligand: SO4 × 2 Sulfate ion PDB codes: 4br9(A), 4brm(A).
		8. Ligand: UNP × 2 5'-O-[(R)-Hydroxy{[(s)- Hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl] uridine PDB codes: 4bri(A), 4brk(A).
		9. Ligand: 50T × 1 Adenosine-5'-Phosphovanadate PDB code: 4bre(A).
		10. Ligand: 8M0 × 1 Bis(mu4-Oxo)-Tetrakis(mu3-Oxo)-Hexakis(mu2- Oxo)-Hexadecaoxo-Octamolybdenum (VI) PDB code: 4bvp(A).
		11. Ligand: ARU × 1 5'-O-[(R)-{[(R)-[Dibromo(phosphono)methyl](hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]-N,N- Diethyladenosine PDB code: 3aaq(A).
		12. Ligand: DVT × 1 Decavanadate PDB code: 4brh(A).
		13. Ligand: GMV × 1 Guanosine-5'-Phosphovanadate PDB code: 4brl(A).
		14. Ligand: GNP × 1 Phosphoaminophosphonic acid-Guanylate ester PDB code: 4brg(A).
		15. Ligand: M27-EDO × 1 EDO=1,2-Ethanediol, M27=Cyclodimolybdoxan-2,2,2,2,4,4,4,4-Octol. PDB code: 4bvp(A).
		16. Ligand: MO7 × 1 Bis(mu4-Oxo)-Bis(mu3-Oxo)-Octakis(mu2-Oxo)- Dodecaoxo-Heptamolybdenum (VI) PDB code: 4bvp(A).
		17. Ligand: TLA × 1 L(+)-Tartaric acid PDB code: 4bvo(A).
		18. Ligand: TMV × 1 Thiamine-Phosphovanadate PDB code: 4brh(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: 8M0 × 1 Bis(mu4-Oxo)-Tetrakis(mu3-Oxo)-Hexakis(mu2- Oxo)-Hexadecaoxo-Octamolybdenum (VI) PDB code: 4bvp(A).
		2. Ligand: E43 × 1 12-Polytungstate PDB code: 4bvo(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: 6LL-GOL-EDO × 1 GOL=Glycerol, EDO=1,2-Ethanediol, 6LL=Tetrakis-(Mu-Oxo)-Deca-Oxo-Trimolybdenum. PDB code: 4bvp(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: MES × 11 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 4bra(A), 4brc(A), 4brd(A), 4bre(A), 4brf(A), 4brg(A), 4brh(A), 4bri(A), 4brk(A), 4brq(A), 4bvp(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4br9(A), 4brm(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: MES × 11 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 4bra(A), 4brc(A), 4brd(A), 4bre(A), 4brf(A), 4brg(A), 4brh(A), 4bri(A), 4brk(A), 4brq(A), 4bvp(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4br9(A), 4brm(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: M27-EDO × 2 EDO=1,2-Ethanediol, M27=Bis(mu2-Oxo)-Octaoxo-Dimolybdenum (VI). PDB codes: 4brf(A), 4bvp(A).