Ligand clusters for UniProt code Q9NTG7

Ligand clusters for Q9NTG7: NAD-dependent protein deacetylase sirtuin-3, mitochondrial from Homo sapiens

		Top 6 (of 19) ligand clusters Cluster 1. 49 ligand types 111 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 3 ligand types 3 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 5 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 3gltA

Structures

PDB		Schematic diagram
3gltA
4jt8A
4jsrA
4bveA
4o8zA
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Cluster 1 contains 49 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Zn		1. Metal: _ZN × 33 PDB codes: 3gls(A), 3glt(A), 3glu(A), 4bn4(A), 4bn5(A), 4bv3(A), 4bvb(A), 4bve(A), 4bvf(A), 4bvg(A), 4bvh(A), 4c78(A), 4c7b(A), 4fvt(A), 4fz3(A), 4hd8(A), 4jsr(A), 4jt8(A), 4jt9(A), 4o8z(A), 4v1c(G), 5bwn(A), 5bwo(A), 5d7n(A), 5h4d(A), 5y4h(A), 5ytk(A), 5z93(A), 5z94(A), 5zgc(A), 6iso(G),
		2. Ligand: GOL × 12 glycerin Glycerol PDB codes: 4bn5(A), 4bv3(A), 4bvg(A), 4c7b(A), 4jt9(A), 4v1c(G), 5z94(A), 6iso(G),
		3. Ligand: BBI × 2 amiodarone (2-Butyl-1-Benzofuran-3-Yl){4-[2-(Diethylamino)ethoxy]- 3,5-Diiodophenyl}methanone PDB codes: 4o8z(A), 5h4d(A).
		4. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 4c7b(A), 4hd8(A).
		5. Ligand: CIT × 1 citric acid Citric acid PDB code: 5z94(A).
		6. Ligand: PLM × 1 palmitic acid Palmitic acid PDB code: 5bwo(A).
		7. Ligand: ARG-THR-BTK-GLN-THR-ALA-ARG × 3 BTK=N~6~-Butanoyl-L-Lysine. PDB codes: 4v1c(A),
		8. Ligand: CRD × 3 (2e)-But-2-Enal PDB codes: 6iso(A),
		9. Ligand: OCZ × 3 (1s)-6-Chloro-2,3,4,9-Tetrahydro-1h- Carbazole-1- Carboxamide PDB codes: 4bv3(A), 4bvb(A), 4bvh(A).
		10. Ligand: SER-GLY-FZN-VAL-MET-ARG × 3 FZN=(2s)-2-Amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(R)-{[(R)- {[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)- 3,4- Dihydroxytetrahydrofuran-2- Yl]methoxy}(hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4- Dihydroxytetrahydrofuran- 2- Yl]sulfanyl}ethylidene]amino}hexanoic acid. PDB codes: 3glt(A), 4bve(A), 4bvf(A).
		11. Ligand: SO4 × 3 Sulfate ion PDB codes: 3glu(A), 4bvg(A), 4fvt(A).
		12. Ligand: ALA-ARG-THR-KHB-GLN-THR-ALA × 2 KHB=N~6~-[(3s)-3-Hydroxybutanoyl]-L-Lysine. PDB codes: 5z94(A),
		13. Ligand: AR6 × 2 [(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4- Dihydroxy-Oxolan-2-Yl]methyl [hydroxy-[[(2r,3s, 4r,5s)- 3,4,5-Trihydroxyoxolan-2-Yl]methoxy] phosphoryl] hydrogen phosphate PDB codes: 4bn4(A), 4bvb(A).
		14. Ligand: ARG-HIS-LYS-FDL × 2 FDL=N~6~-Acetyl-N-(4-Methyl-2-Oxo-2h-Chromen-7- Yl)-L-Lysinamide. PDB codes: 4c7b(A), 4hd8(A).
		15. Ligand: ARG-THR-LYS-GLN-THR-ALA-ARG × 2 PDB codes: 6iso(A),
		16. Ligand: CNA × 2 Carba-Nicotinamide-Adenine-Dinucleotide PDB codes: 4bn5(A), 4fvt(A).
		17. Ligand: NAD × 2 Nicotinamide-Adenine-Dinucleotide PDB codes: 4bv3(A), 5h4d(A).
		18. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 4bvg(A), 5d7n(A).
		19. Ligand: 1NQ × 1 N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl) piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5- Dicarboxamide PDB code: 4jsr(A).
		20. Ligand: 1NR × 1 4-(4-{2-[(2,2-Dimethylpropanoyl)amino]ethyl}piperidin- 1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide PDB code: 4jt8(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: BVB × 1 5-[(E)-2-(4-Bromophenyl)ethenyl]benzene-1,3- Diol PDB code: 4c78(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5z94(A).
		2. Ligand: CO3 × 1 Carbonate ion PDB code: 3glt(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4bvf(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4bve(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4bvg(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4bvg(A).
		2. Ligand: SO4 × 4 Sulfate ion PDB codes: 3glt(A), 4bve(A), 4fvt(A), 5z94(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4bv3(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4bvg(A).