Ligand clusters for UniProt code P05091

Ligand clusters for P05091: Aldehyde dehydrogenase, mitochondrial OS=Homo sapiens OX=9606 GN=ALDH2 PE=1 SV=2

		Top 6 (of 20) ligand clusters Cluster 1. 14 ligand types 33 ligands Cluster 2. 2 ligand types 15 ligands Cluster 3. 2 ligand types 15 ligands Cluster 4. 2 ligand types 15 ligands Cluster 5. 2 ligand types 16 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 3inlA

Structures

PDB		Schematic diagram
3inlA
4fqfA
5l13A
1nzxA
1o01A
		more ...

Cluster 1 contains 14 ligand types

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: NAD × 6 Nicotinamide-Adenine-Dinucleotide PDB codes: 1cw3(A), 1nzx(A), 1o00(A), 1o01(A), 1o04(A), 2onp(A).
		2. Ligand: GAI × 9 guanidine Guanidine PDB codes: 1o02(A), 1o04(A), 2onp(A), 3n80(A), 3n81(A), 3n82(A), 3n83(A), 3sz9(A), 5l13(A).
		3. Ligand: NAI × 3 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB codes: 1nzw(A), 1nzz(A), 1o02(A).
		4. Ligand: TNG × 1 nitroglycerin Propane-1,2,3-Triyl trinitrate PDB code: 4fr8(A).
		5. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2onm(A).
		6. Ligand: NAD × 3 Nicotinamide-Adenine-Dinucleotide PDB codes: 3n82(A), 4fqf(A), 4fr8(A).
		7. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 3n83(A).
		8. Ligand: BXB × 2 N-(1,3-Benzodioxol-5-Ylmethyl)-2,6-Dichlorobenzamide PDB codes: 3inj(A), 3inl(A).
		9. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3inj(A), 3inl(A).
		10. Ligand: 2AK × 1 7-Bromo-5-Methyl-1h-Indole-2,3-Dione PDB code: 4kwg(A).
		11. Ligand: 3AK × 1 1-Benzyl-1h-Indole-2,3-Dione PDB code: 4kwf(A).
		12. Ligand: 6ZE × 1 2,3,5-Trimethyl-6-Propyl-7h-Furo[3,2-G][1]benzopyran-7- One PDB code: 5l13(A).
		13. Ligand: DZN × 1 Daidzin PDB code: 2vle(A).
		14. Ligand: I3E × 1 1-(4-Ethylphenyl)propan-1-One PDB code: 3sz9(A).

Cluster 2 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GAI × 13 guanidine Guanidine PDB codes: 1o01(A), 1o02(A), 1o04(A), 2onp(A), 3inj(A), 3n80(A), 3n81(A), 3n82(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A), 5l13(A).
		2. Ligand: URE × 2 urea Urea PDB codes: 4fqf(A), 4fr8(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GAI × 13 guanidine Guanidine PDB codes: 1o01(A), 1o02(A), 1o04(A), 2onp(A), 3inj(A), 3n80(A), 3n81(A), 3n82(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A), 5l13(A).
		2. Ligand: URE × 2 urea Urea PDB codes: 4fqf(A), 4fr8(A).

Cluster 4 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: URE × 1 urea Urea PDB code: 4fqf(A).
		2. Ligand: EDO × 14 1,2-Ethanediol PDB codes: 1o01(A), 1o02(A), 1o04(A), 2onp(A), 3inj(A), 3inl(A), 3n80(A), 3n81(A), 3n82(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A), 5l13(A).

Cluster 5 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: URE × 1 urea Urea PDB code: 4fqf(A).
		2. Ligand: EDO × 15 1,2-Ethanediol PDB codes: 1o01(A), 1o02(A), 1o04(A), 1zum(A), 2onm(A), 2onp(A), 3inj(A), 3inl(A), 3n80(A), 3n81(A), 3n82(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A).

Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GAI × 1 guanidine Guanidine PDB code: 2onm(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3inl(A).