Ligand clusters for UniProt code O76290

Ligand clusters for O76290: Pteridine reductase from Trypanosoma brucei brucei

		Top 6 (of 13) ligand clusters Cluster 1. 71 ligand types 145 ligands Cluster 2. 6 ligand types 6 ligands Cluster 3. 3 ligand types 6 ligands Cluster 4. 2 ligand types 11 ligands Cluster 5. 2 ligand types 3 ligands Cluster 6. 2 ligand types 4 ligands
Representative protein: 6rx5A

Structures

PDB		Schematic diagram
6rx5A
6gckA
2c7vA
3bmnA
6rx0A
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Cluster 1 contains 71 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3bmn(A), 4cm4(A), 6hnc(A).
		2. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6gcq(A), 6gey(A).
		3. Ligand: 1CY × 1 cycloguanil 1-(4-Chlorophenyl)-6,6-Dimethyl-1,6-Dihydro-1,3,5- Triazine-2,4-Diamine PDB code: 6hnc(A).
		4. Ligand: FOL × 1 folic acid Folic acid PDB code: 3bmc(A).
		5. Ligand: TMQ × 1 trimetrexate Trimetrexate PDB code: 2x9v(A).
		6. Ligand: NAP × 65 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 2c7v(A), 2vz0(A), 2wd7(A), 2wd8(A), 2x9g(A), 2x9n(A), 2x9v(A), 3bmc(A), 3bmn(A), 3bmo(A), 3bmq(A), 3gn1(A), 3gn2(A), 3mcv(A), 4cl8(A), 4cld(A), 4cle(A), 4clh(A), 4clo(A), 4clr(A), 4clx(A), 4cm1(A), 4cm3(A), 4cm4(A), 4cm5(A), 4cm6(A), 4cm7(A), 4cm8(A), 4cm9(A), 4cma(A), 4cmb(A), 4cmc(A), 4cme(A), 4cmg(A), 4cmi(A), 4cmj(A), 4cmk(A), 4wcd(A), 4wcf(A), 5izc(A), 5jcj(A), 5jcx(A), 5jdc(A), 5jdi(A), 5k6a(A), 6gck(A), 6gcl(A), 6gcp(A), 6gcq(A), 6gd0(A), 6gd4(A), 6gdo(A), 6gdp(A), 6gex(A), 6gey(A), 6hnc(A), 6hnr(A), 6how(A), 6rx0(A), 6rx5(A), 6rx6(A), 6tbx(A).
		7. Ligand: DTT × 5 2,3-Dihydroxy-1,4-Dithiobutane PDB codes: 3bmo(A), 3bmq(A), 4cm1(A), 4cm8(A), 4cm9(A).
		8. Ligand: AX3 × 2 N~2~-Cyclopropyl-1,3,5-Triazine-2,4,6-Triamine PDB codes: 2x9n(A), 3bmn(A).
		9. Ligand: JR2 × 2 4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D] pyrimidin-2-Amine PDB codes: 4cle(A),
		10. Ligand: W8G × 2 4-Thiomorpholino-7h-Pyrrolo[2,3-D]pyrimidin- 2-Amine PDB codes: 4clh(A),
		11. Ligand: 3KH × 1 5-(1h-Benzotriazol-6-Yl)-1,3,4-Thiadiazol-2-Amine PDB code: 4wcd(A).
		12. Ligand: 3KN × 1 3-(5-Amino-1,3,4-Thiadiazol-2-Yl)pyridin-4-Amine PDB code: 4wcf(A).
		13. Ligand: 4NR × 1 5-(4-Fluorophenyl)-7h-Pyrrolo[2,3-D] pyrimidine-2,4-Diamine PDB code: 4cm4(A).
		14. Ligand: 6F4 × 1 N~2~-[(Thiophen-2-Yl)methyl]-1,3,4-Thiadiazole-2,5- Diamine PDB code: 5izc(A).
		15. Ligand: 6JM × 1 2-(3,4-Dihydroxyphenyl)-3,6-Dihydroxy-4h-1-Benzopyran- 4-One PDB code: 5jcj(A).
		16. Ligand: 6JO × 1 3,6-Dihydroxy-2-(3-Hydroxyphenyl)-4h-1-Benzopyran-4-One PDB code: 5jdi(A).
		17. Ligand: 6JP × 1 (2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3- Dihydro-4h-1-Benzopyran-4-One PDB code: 5jdc(A).
		18. Ligand: 6KT × 1 2-Amino-1,3-Benzothiazole-6-Carboxamide PDB code: 6gd4(A).
		19. Ligand: 6QT × 1 (2~{r})-2-(3-Hydroxyphenyl)-6-Oxidanyl-2,3- Dihydrochromen-4-One PDB code: 5k6a(A).
		20. Ligand: ACT × 1 Acetate ion PDB code: 4cl8(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: 6JP × 1 (2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3- Dihydro-4h-1-Benzopyran-4-One PDB code: 5jdc(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 3mcv(A).
		3. Ligand: AX8 × 1 1-(3,4-Dichlorobenzyl)-1h-Benzimidazol-2-Amine PDB code: 3gn2(A).
		4. Ligand: DTT × 1 2,3-Dihydroxy-1,4-Dithiobutane PDB code: 3bmo(A).
		5. Ligand: IZ9 × 1 (E)-2,4-Diamino-6-(4-Methylstyryl)-7h-Pyrrolo[2,3- D]pyrimidine-5-Carbonitrile PDB code: 4cm8(A).
		6. Ligand: VGF × 1 1-(3,4-Dichlorobenzyl)-7-Phenyl-1h- Benzimidazol-2-Amine PDB code: 2wd8(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3bmn(A).
		2. Ligand: ACT × 4 Acetate ion PDB codes: 2x9v(A), 3bmo(A), 4cma(A), 6hnc(A).
_Na		3. Metal: _NA × 1 PDB code: 3bmo(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 7 glycerin Glycerol PDB codes: 3bmo(A), 5jcx(A), 6gcp(A), 6gcq(A), 6gdp(A), 6rx0(A), 6rx5(A).
		2. Ligand: ACT × 4 Acetate ion PDB codes: 2c7v(A), 3bmo(A), 3mcv(A), 4cm7(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3bmn(A), 4wcf(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 5izc(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6hnc(A).
		2. Ligand: ACT × 3 Acetate ion PDB codes: 2x9v(A), 3bmo(A), 4cma(A).