Ligand clusters for UniProt code P28907

Ligand clusters for P28907: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 34 ligand types 42 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 6vuaA

Structures

PDB		Schematic diagram
6vuaA
2i65A
5f21A
3roqA
2o3rA
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Cluster 1 contains 34 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: APR × 1 Adenosine-5-Diphosphoribose PDB code: 2i67(A).
		2. Ligand: NAD × 1 Nicotinamide-Adenine-Dinucleotide PDB code: 2i65(A).
		3. Ligand: NCA × 2 nicotinamide Nicotinamide PDB codes: 3dzg(A), 3rop(A).
		4. Ligand: NGD × 1 3-(Aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(S)-{[(S)- {[(2r,3s,4r,5r)-5-(2-Amino-6-Oxo-1,6-Dihydro-9h- Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2- Yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]oxy}methyl)-3,4-Dihydroxytetrahydrofuran- 2- Yl]pyridinium PDB code: 2o3u(A).
		5. Ligand: CXR × 3 Cyclic adenosine diphosphate-Ribose PDB codes: 2o3q(A), 2o3r(A), 2o3s(A).
		6. Ligand: N1C × 2 N1-Cyclic inosine 5'-Diphosphoribose PDB codes: 2pgj(A), 2pgl(A).
		7. Ligand: CGR × 1 Cyclic guanosine diphosphate-Ribose PDB code: 2o3t(A).
		8. Ligand: NMN × 1 Beta-Nicotinamide ribose monophosphate PDB code: 2hct(A).
		9. Ligand: SO4 × 1 Sulfate ion PDB code: 1zvm(A).
		10. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 2ef1(A).
		11. Ligand: NMN × 3 Beta-Nicotinamide ribose monophosphate PDB codes: 3dzj(A), 3dzk(A), 4ogw(A).
		12. Ligand: AVU × 2 [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4- Dihydroxytetrahydrofuran-2-Yl]methyl [(2r,3r,4r)-4- Fluoro-3-Hydroxytetrahydrofuran-2-Yl]methyl dihydrogen diphosphate PDB codes: 3i9m(A), 3ofs(A).
		13. Ligand: RF5 × 2 2-Deoxy-2-Fluoro-5-O-Phosphono-Alpha-D-Arabinofuranose PDB codes: 3dzf(A), 3dzg(A).
		14. Ligand: SO4 × 1 Sulfate ion PDB code: 5f21(A).
		15. Ligand: 27C × 1 5-O-[(S)-Butoxy(hydroxy)phosphoryl]-2-Deoxy-2-Fluoro- Alpha-D-Arabinofuranose PDB code: 3rok(A).
		16. Ligand: 41Z × 1 4-[(2,6-Dimethylbenzyl)amino]-2-Methylquinoline-8- Carboxamide PDB code: 4xjt(A).
		17. Ligand: 46Z × 1 (2r,3r,4s,5s)-4-Fluoro-3,5-Dihydroxytetrahydrofuran-2- Yl 2-Phenylethyl hydrogen (s)-Phosphate PDB code: 3roq(A).
		18. Ligand: 48Z × 1 2-Deoxy-2-Fluoro-5-O-Thiophosphono-Alpha-D- Arabinofuranose PDB code: 3rom(A).
		19. Ligand: 50A × 1 2-Deoxy-2-Fluoro-5-O-Phosphono-Alpha-D-Ribofuranose PDB code: 3rop(A).
		20. Ligand: 733 × 1 6-Fluoro-2-Methyl-4-[(2,3,6-Trichlorobenzyl) amino]quinoline-8-Carboxamide PDB code: 4xjs(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 1zvm(A).
		2. Ligand: PO4 × 1 Phosphate ion PDB code: 6vua(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PGE × 1 Triethylene glycol PDB code: 6vua(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 6vua(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5f21(A).
_Ca		2. Metal: _CA × 1 PDB code: 3f6y(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6vua(A).