Ligand clusters for UniProt code Q01782

Ligand clusters for Q01782: Pteridine reductase 1 from Leishmania major

		Top 6 (of 12) ligand clusters Cluster 1. 17 ligand types 34 ligands Cluster 2. 4 ligand types 5 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 2 ligand types 3 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 1w0cA

Structures

PDB		Schematic diagram
1w0cA
2bfmA
2bf7A
2bfoA
5l42A
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: NAP × 6 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 1e92(A), 1w0c(A), 2bf7(A), 2bfp(A), 2qhx(A).
		2. Ligand: NDP × 4 Nadph dihydro-Nicotinamide-Adenine- Dinucleotide phosphate PDB codes: 1e7w(A), 2bfa(A), 2bfm(A), 2bfo(A).
		3. Ligand: HBI × 2 7,8-Dihydrobiopterin PDB codes: 1e92(A), 2bf7(A).
		4. Ligand: H4B × 1 sapropterin 5,6,7,8-Tetrahydrobiopterin PDB code: 2bfp(A).
		5. Ligand: TOP × 1 trimethoprim Trimethoprim PDB code: 2bfm(A).
		6. Ligand: FE1 × 1 Methyl 1-(4-{[(2,4-Diaminopteridin-6-Yl) methyl](methyl)amino}benzoyl)piperidine-4-Carboxylate PDB code: 2qhx(A).
		7. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 1e7w(A), 2bfa(A), 2bfo(A).
		8. Ligand: MTX × 1 Methotrexate PDB code: 1e7w(A).
		9. Ligand: TAQ × 2 2,4,6-Triaminoquinazoline PDB codes: 1w0c(A),
		10. Ligand: CB3 × 1 10-Propargyl-5,8-Dideazafolic acid PDB code: 2bfa(A).
		11. Ligand: NAP × 2 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 3h4v(A),
		12. Ligand: NDP × 4 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 5l42(A), 5l4n(A), 6rxc(A).
		13. Ligand: DVP × 2 Methyl 1-(4-{[(2,4-Diaminopteridin-6-Yl) methyl]amino}benzoyl)piperidine-4-Carboxylate PDB codes: 3h4v(A),
		14. Ligand: 6J6 × 1 (2~{r})-2-[3,4-Bis(oxidanyl)phenyl]-6-Oxidanyl-2,3- Dihydrochromen-4-One PDB code: 5l42(A).
		15. Ligand: 6QT × 1 (2~{r})-2-(3-Hydroxyphenyl)-6-Oxidanyl-2,3- Dihydrochromen-4-One PDB code: 5l4n(A).
		16. Ligand: ACT × 1 Acetate ion PDB code: 5l42(A).
		17. Ligand: KMK × 1 Methyl 1-[4-[[2,4-Bis(azanyl)pteridin-6-Yl]methyl-(3- Oxidanylpropyl)amino]phenyl]carbonylpiperidine-4- Carboxylate PDB code: 6rxc(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 2bfa(A), 2bfo(A).
		2. Ligand: CB3 × 1 10-Propargyl-5,8-Dideazafolic acid PDB code: 2bfa(A).
		3. Ligand: 6J6 × 1 (2~{r})-2-[3,4-Bis(oxidanyl)phenyl]-6-Oxidanyl-2,3- Dihydrochromen-4-One PDB code: 5l42(A).
		4. Ligand: 6QT × 1 (2~{r})-2-(3-Hydroxyphenyl)-6-Oxidanyl-2,3- Dihydrochromen-4-One PDB code: 5l4n(D).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: TAQ × 1 2,4,6-Triaminoquinazoline PDB code: 1w0c(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5l4n(A).
		2. Ligand: PGE × 2 Triethylene glycol PDB codes: 5l42(A), 5l4n(D).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5l42(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2bfp(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 5l42(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5l4n(D).