Ligand clusters for UniProt code P00352

Ligand clusters for P00352: Retinal dehydrogenase 1 OS=Homo sapiens OX=9606 GN=ALDH1A1 PE=1 SV=2

		6 ligand clusters Cluster 1. 8 ligand types 8 ligands Cluster 2. 4 ligand types 12 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 8 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 4wp7A

Structures

PDB		Schematic diagram
4wp7A
4wpnA
4wj9A
5teiA
4wb9A
		more ...

Cluster 1 contains 8 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: 3SR × 1 8-{[4-(Furan-2-Ylcarbonyl)piperazin-1-Yl]methyl}-1,3- Dimethyl-7-(3-Methylbutyl)-3,7-Dihydro-1h- Purine-2,6- Dione PDB code: 4wp7(A).
		2. Ligand: 3ST × 1 1-{[1,3-Dimethyl-7-(3-Methylbutyl)-2,6-Dioxo-2,3,6,7- Tetrahydro-1h-Purin-8-Yl]methyl}piperidine-4- Carboxamide PDB code: 4wpn(A).
		3. Ligand: 3XG × 1 Ethyl ({4-Oxo-3-[3-(Pyrrolidin-1-Yl)propyl]-3,4- Dihydro[1]benzothieno[3,2-D]pyrimidin-2- Yl}sulfanyl) acetate PDB code: 4x4l(A).
		4. Ligand: 6ZU × 1 3-Benzyl-4-Methyl-2-Oxo-2h-1-Benzopyran-7-Yl methanesulfonate PDB code: 5l2n(A).
		5. Ligand: 6ZY × 1 2,3,5-Trimethyl-6-[3-Oxo-3-(Piperidin-1-Yl)propyl]-7h- Furo[3,2-G][1]benzopyran-7-One PDB code: 5l2m(A).
		6. Ligand: A5Y × 1 6-{[(3-Fluorophenyl)methyl]sulfanyl}-2-(Oxetan-3-Yl)-5- Phenyl-2,5-Dihydro-4h-Pyrazolo[3,4- D]pyrimidin-4-One PDB code: 6dum(A).
		7. Ligand: K9P × 1 1-[(1s)-1-Methyl-5-Oxidanyl-1,2- Dihydrobenzo[e]indol-3-Yl]hexan-1-One PDB code: 5ac2(A).
		8. Ligand: M39 × 1 6-{[(3-Fluorophenyl)methyl]sulfanyl}-5-(2- Methylphenyl)-2,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin- 4-One PDB code: 5tei(A).

Cluster 2 contains 4 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: NAI × 4 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB codes: 4wb9(A), 4x4l(A), 5tei(A), 6dum(A).
_Cl		2. Metal: _CL × 6 PDB codes: 4wb9(A), 4x4l(A), 6dum(A),
		3. Ligand: 6ZW × 1 7-(Diethylamino)-4-Methyl-2h-1-Benzopyran-2-One PDB code: 5l2o(A).
		4. Ligand: TXE × 1 [[(2r,3s,4r,5r)-5-[(3r)-3-Aminocarbonyl-3,4- Dihydro-2h-Pyridin-1-Yl]-3,4-Bis(oxidanyl) oxolan-2- Yl]methoxy-Oxidanidyl-Phosphoryl] [(2r, 3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4- Bis(oxidanyl)oxolan- 2-Yl]methyl phosphate PDB code: 5ac2(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
_Cl		1. Metal: _CL × 1 PDB code: 6dum(A).
_Yb		2. Metal: _YB × 1 PDB code: 5ac2(A).

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
_Cl		1. Metal: _CL × 8 PDB codes: 4wj9(A), 4wp7(A), 4x4l(A), 5l2m(A), 5l2n(A), 5l2o(A), 5tei(A), 6dum(A).

Cluster 5 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
_Cl		1. Metal: _CL × 1 PDB code: 4wpn(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
_Yb		1. Metal: _YB × 1 PDB code: 5l2o(A).