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Ligand clusters for UniProt code P05091

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

Top 6 (of 20) ligand clusters
Cluster 1.
13 ligand types
27 ligands
Cluster 2.
2 ligand types
12 ligands
Cluster 3.
2 ligand types
12 ligands
Cluster 4.
2 ligand types
12 ligands
Cluster 5.
2 ligand types
14 ligands
Cluster 6.
2 ligand types
2 ligands
Representative protein: 3inlA  
 

Structures

PDB   Schematic diagram
3inlA    
4fqfA    
1nzxA    
1o01A    
1o04A    
 more ...

 

 Cluster 1 contains 13 ligand types

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Ligand Description


 
1. Ligand: NAD × 7
Nicotinamide-Adenine-Dinucleotide
PDB codes: 1cw3(A), 1nzx(A), 1o00(A), 1o01(A), 1o02(A), 1o04(A), 2onp(A).


 
2. Ligand: GAI × 6
guanidine
Guanidine
PDB codes: 1o02(A), 1o04(A), 2onp(A), 3n81(A), 3n83(A), 3sz9(A).


 
3. Ligand: NAI × 1
nadh
1,4-Dihydronicotinamide adenine dinucleotide
PDB code: 1nzw(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 × 2
Nicotinamide-Adenine-Dinucleotide
PDB codes: 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: DZN × 1
Daidzin
PDB code: 2vle(A).


 
13. Ligand: I3E × 1
1-(4-Ethylphenyl)propan-1-One
PDB code: 3sz9(A).

 

 Cluster 2 contains 2 ligand types

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Ligand Description


 
1. Ligand: GAI × 10
guanidine
Guanidine
PDB codes: 1o01(A), 1o02(A), 1o04(A), 2onp(A), 3inj(A), 3n81(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A).


 
2. Ligand: URE × 2
Urea
PDB codes: 4fqf(A), 4fr8(A).

 

 Cluster 3 contains 2 ligand types

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Ligand Description


 
1. Ligand: GAI × 10
guanidine
Guanidine
PDB codes: 1o01(A), 1o02(A), 1o04(A), 2onp(A), 3inj(A), 3n81(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A).


 
2. Ligand: URE × 2
Urea
PDB codes: 4fqf(A), 4fr8(A).

 

 Cluster 4 contains 2 ligand types

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Ligand Description


 
1. Ligand: EDO × 11
1,2-Ethanediol
PDB codes: 1o01(A), 1o02(A), 1o04(A), 2onp(A), 3inj(A), 3inl(A), 3n81(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A).


 
2. Ligand: URE × 1
Urea
PDB code: 4fqf(A).

 

 Cluster 5 contains 2 ligand types

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Ligand Description


 
1. Ligand: EDO × 13
1,2-Ethanediol
PDB codes: 1o01(A), 1o02(A), 1o04(A), 1zum(A), 2onm(A), 2onp(A), 3inj(A), 3inl(A), 3n81(A), 3n83(A), 3sz9(A), 4kwf(A), 4kwg(A).


 
2. Ligand: URE × 1
Urea
PDB code: 4fqf(A).

 

 Cluster 6 contains 2 ligand types

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Ligand Description


 
1. Ligand: GAI × 1
guanidine
Guanidine
PDB code: 2onm(A).


 
2. Ligand: EDO × 1
1,2-Ethanediol
PDB code: 3inl(A).

 

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