Ligand clusters for UniProt code Q4D3W2

Ligand clusters for Q4D3W2: Dihydroorotate dehydrogenase (fumarate) from Trypanosoma cruzi (strain CL Brener)

		Top 6 (of 37) ligand clusters Cluster 1. 60 ligand types 196 ligands Cluster 2. 3 ligand types 59 ligands Cluster 3. 3 ligand types 8 ligands Cluster 4. 3 ligand types 11 ligands Cluster 5. 2 ligand types 41 ligands Cluster 6. 2 ligand types 51 ligands
Representative protein: 3w87A

Structures

PDB		Schematic diagram
3w87A
2djxA
3c3nA
3w7nA
3w7mA
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Cluster 1 contains 60 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 77 glycerin Glycerol PDB codes: 3w1q(A), 3w1t(A), 3w1u(A), 3w1x(A), 3w22(A), 3w23(A), 3w2j(A), 3w2k(A), 3w2l(A), 3w2m(A), 3w2n(A), 3w2u(A), 3w3o(A), 3w6y(A), 3w70(A), 3w71(A), 3w72(A), 3w73(A), 3w74(A), 3w75(A), 3w76(A), 3w7c(A), 3w7d(A), 3w7e(A), 3w7g(A), 3w7h(A), 3w7i(A), 3w7j(A), 3w7k(A), 3w7l(A), 3w7m(A), 3w7n(A), 3w7o(A), 3w7p(A), 3w7q(A), 3w83(A), 3w85(A), 3w86(A), 3w87(A), 3w88(A), 4jd4(A), 4jdb(A), 5e93(A), 5ea9(A),
		2. Ligand: FMN × 58 flavin mononucleotide Flavin mononucleotide PDB codes: 2djl(A), 2djx(A), 2e68(A), 2e6a(A), 2e6d(A), 2e6f(A), 3c3n(A), 3w1a(A), 3w1l(A), 3w1m(A), 3w1n(A), 3w1p(A), 3w1q(A), 3w1r(A), 3w1t(A), 3w1u(A), 3w1x(A), 3w22(A), 3w23(A), 3w2j(A), 3w2k(A), 3w2l(A), 3w2m(A), 3w2n(A), 3w2u(A), 3w3o(A), 3w6y(A), 3w70(A), 3w71(A), 3w72(A), 3w73(A), 3w74(A), 3w75(A), 3w76(A), 3w7c(A), 3w7d(A), 3w7e(A), 3w7g(A), 3w7h(A), 3w7i(A), 3w7j(A), 3w7k(A), 3w7l(A), 3w7m(A), 3w7n(A), 3w7o(A), 3w7p(A), 3w7q(A), 3w83(A), 3w84(A), 3w85(A), 3w86(A), 3w87(A), 3w88(A), 4jd4(A), 4jdb(A), 5e93(A), 5ea9(A).
		3. Ligand: OXC × 1 oteracil Oxonic acid PDB code: 2e6f(A).
		4. Ligand: SIN × 1 succinic acid Succinic acid PDB code: 2djl(A).
		5. Ligand: CAC × 4 Cacodylate ion PDB codes: 3w86(A), 3w87(A), 3w88(A), 5e93(A).
		6. Ligand: 2RO × 1 5-[2-(4-Tert-Butylphenyl)ethyl]-2,6-Dioxo-1,2,3,6- Tetrahydropyrimidine-4-Carboxylic acid PDB code: 3w22(A).
		7. Ligand: 3RO × 1 5-[2-(3-Chlorophenyl)ethyl]-2,6-Dioxo-1,2,3,6- Tetrahydropyrimidine-4-Carboxylic acid PDB code: 3w23(A).
		8. Ligand: 5LL × 1 5-[(E)-3-(Furan-2-Yl)prop-2-Enylidene]-1,3-Diazinane-2, 4,6-Trione PDB code: 5e93(A).
		9. Ligand: 5LM × 1 5-[(E)-3-Thiophen-2-Ylprop-2-Enylidene]-1,3-Diazinane- 2,4,6-Trione PDB code: 5ea9(A).
		10. Ligand: DOR × 1 (4s)-2,6-Dioxohexahydropyrimidine-4-Carboxylic acid PDB code: 2e68(A).
		11. Ligand: ERO × 1 5-Ethenyl-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4- Carboxylic acid PDB code: 3w1p(A).
		12. Ligand: FOT × 1 5-Fluoro-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4- Carboxylic acid PDB code: 3w1a(A).
		13. Ligand: FUM × 1 Fumaric acid PDB code: 2e6d(A).
		14. Ligand: HRO × 1 5-Chloro-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4- Carboxylic acid PDB code: 3w1l(A).
		15. Ligand: IRO × 1 5-Iodo-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4- Carboxylic acid PDB code: 3w1n(A).
		16. Ligand: JDB × 1 5-[2-(7-Methoxynaphthalen-2-Yl)ethyl]-2,6-Dioxo-1,2,3, 6-Tetrahydropyrimidine-4-Carboxylic acid PDB code: 4jdb(A).
		17. Ligand: JDM × 1 5-{2-[2-(Hydroxymethyl)phenyl]ethyl}-2,6-Dioxo-1,2,3,6- Tetrahydropyrimidine-4-Carboxylic acid PDB code: 4jd4(A).
		18. Ligand: KRO × 1 5-[2-(4-Fluoro-3-Methylphenyl)ethyl]-2,6-Dioxo-1,2,3,6- Tetrahydropyrimidine-4-Carboxylic acid PDB code: 3w2k(A).
		19. Ligand: LRO × 1 5-[2-(4-Methylphenyl)ethyl]-2,6-Dioxo-1,2,3,6- Tetrahydropyrimidine-4-Carboxylic acid PDB code: 3w1u(A).
		20. Ligand: MRO × 1 2,6-Dioxo-5-(2-Phenylethyl)-1,2,3,6- Tetrahydropyrimidine-4-Carboxylic acid PDB code: 3w1r(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 51 glycerin Glycerol PDB codes: 3c3n(A), 3w1x(A), 3w22(A), 3w23(A), 3w2j(A), 3w2k(A), 3w2l(A), 3w2m(A), 3w2n(A), 3w2u(A), 3w3o(A), 3w6y(A), 3w70(A), 3w71(A), 3w72(A), 3w73(A), 3w74(A), 3w75(A), 3w76(A), 3w7c(A), 3w7d(A), 3w7e(A), 3w7g(A), 3w7h(A), 3w7i(A), 3w7j(A), 3w7k(A), 3w7l(A), 3w7m(A), 3w7n(A), 3w7p(A), 3w7q(A), 3w83(A), 3w85(A), 3w86(A), 3w87(A), 3w88(A), 4jdb(A), 5e93(A), 5ea9(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 3w88(A), 5e93(A),
		3. Ligand: NCO × 4 Cobalt hexammine(III) PDB codes: 3w7j(A), 3w86(A), 3w87(A), 3w88(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3w87(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 3w86(A), 3w87(A),
		3. Ligand: PEG × 3 Di(hydroxyethyl)ether PDB codes: 3w88(A),

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 3w86(A), 3w87(A), 3w88(A), 5e93(A).
		2. Ligand: CAC × 3 Cacodylate ion PDB codes: 3w86(A), 3w87(A), 3w88(A).
		3. Ligand: NCO × 1 Cobalt hexammine(III) PDB code: 5e93(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 39 glycerin Glycerol PDB codes: 3c3n(A), 3w2k(A), 3w2l(A), 3w2m(A), 3w2n(A), 3w2u(A), 3w6y(A), 3w71(A), 3w72(A), 3w73(A), 3w74(A), 3w75(A), 3w76(A), 3w7c(A), 3w7d(A), 3w7e(A), 3w7j(A), 3w7m(A), 4jd4(A), 4jdb(A), 5e93(A), 5ea9(A).
		2. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 3w87(A), 3w88(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: NCO × 50 Cobalt hexammine(III) PDB codes: 2djl(A), 2djx(A), 2e68(A), 2e6a(A), 2e6d(A), 2e6f(A), 3w1a(A), 3w1l(A), 3w1m(A), 3w1n(A), 3w1p(A), 3w1q(A), 3w1r(A), 3w1t(A), 3w1u(A), 3w1x(A), 3w22(A), 3w23(A), 3w2j(A), 3w2k(A), 3w2l(A), 3w2m(A), 3w2n(A), 3w2u(A), 3w3o(A), 3w6y(A), 3w70(A), 3w71(A), 3w74(A), 3w7c(A), 3w7d(A), 3w7e(A), 3w7g(A), 3w7h(A), 3w7i(A), 3w7j(A), 3w7k(A), 3w7l(A), 3w7m(A), 3w7n(A), 3w7o(A), 3w7p(A), 3w7q(A), 3w83(A), 3w84(A), 3w85(A), 3w86(A), 3w87(A), 3w88(A), 4jdb(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5ea9(A).