Ligand clusters for UniProt code P25779

Ligand clusters for P25779: Cruzipain from Trypanosoma cruzi

		Top 6 (of 23) ligand clusters Cluster 1. 29 ligand types 33 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 2 ligand types 5 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 1aimA

Structures

PDB		Schematic diagram
1aimA
6ux6A
1ewmA
3i06A
1ewpA
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Cluster 1 contains 29 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6ux6(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 3iut(A), 3lxs(A), 6n3s(A), 6o2x(A).
		3. Ligand: 3H5 × 2 N-(1h-Benzimidazol-2-Yl)-1,3-Dimethyl-1h-Pyrazole-4- Carboxamide PDB codes: 4w5b(A), 4w5c(A).
		4. Ligand: 0I5 × 1 N-[(3s)-1-Fluoro-2-Oxo-5-Phenylpentan-3-Yl]-N~2~- (Morpholin-4-Ylcarbonyl)-L-Leucinamide PDB code: 1ewp(A).
		5. Ligand: 186 × 1 [1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl- Ethyl]-Carbamic acid benzyl ester PDB code: 1u9q(X).
		6. Ligand: 1RV × 1 2-{[(1h-1,2,4-Triazol-5-Ylsulfanyl) acetyl]amino}thiophene-3-Carboxamide PDB code: 4klb(A).
		7. Ligand: 25B × 1 (1r,2r)-2-[(4-Chlorophenyl)carbonyl]-N-{(1s)-1-[2- (Phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide PDB code: 3hd3(A).
		8. Ligand: 2V5 × 1 N-[(2s)-5-(Carbamimidamidooxy)-1-Oxo-1-{[(1e,3s)-5- Phenyl-1-(Phenylsulfonyl)pent-1-En-3- Yl]amino}pentan- 2-Yl]-4-Methylpiperazine-1-Carboxamide PDB code: 4pi3(A).
		9. Ligand: 2VC × 1 N-[(2s)-5-(Carbamimidamidooxy)-1-Oxo-1-{[(1e,3s)-5- Phenyl-1-(Pyrimidin-2-Ylsulfonyl)pent-1-En-3- Yl]amino}pentan-2-Yl]-4-Methylpiperazine-1-Carboxamide PDB code: 4xui(A).
		10. Ligand: 33L × 1 N-(2-Aminoethyl)-Nalpha-Benzoyl-L-Phenylalaninamide PDB code: 4qh6(A).
		11. Ligand: 3H6 × 1 N-(1h-Benzimidazol-2-Yl)-3-(4-Fluorophenyl)-1h- Pyrazole-4-Carboxamide PDB code: 4w5c(A).
		12. Ligand: 4MC × 1 (Z)-N-(5-Guanidino-1-Oxo-1-(5-Phenyl-1- (Phenylsulfonyl)pent-1-En-3-Ylamino)pentan-2-Yl)-4- Methylpiperazine-1-Carboxamide PDB code: 3lxs(A).
		13. Ligand: B95 × 1 N-[2-(1h-Benzimidazol-2-Yl)ethyl]-2-(2-Bromophenoxy) acetamide PDB code: 3kku(A).
		14. Ligand: D1R × 1 Nalpha-[(4-Methylpiperazin-1-Yl)carbonyl]-N-{(1s)-3- Phenyl-1-[2-(Phenylsulfonyl)ethyl]propyl}-L- Phenylalaninamide PDB code: 2oz2(A).
		15. Ligand: KB2 × 1 (3s)-3-(4-{(1s)-1,2-Dimethyl-1-[(Quinolin-6-Ylmethyl) amino]propyl}-1h-1,2,3-Triazol-1-Yl)heptan-2- One PDB code: 3iut(A).
		16. Ligand: P10 × 1 [1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2- Phenyl-Ethyl]-Carbamic acid pyridin-4- Ylmethyl ester PDB code: 1me3(A).
		17. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3hd3(A).
		18. Ligand: QL2 × 1 6-[(3,5-Difluorophenyl)amino]-9-Ethyl-9h-Purine-2- Carbonitrile PDB code: 3i06(A).
		19. Ligand: R99 × 1 N-[3-Carboxy-2-Hydroxy-Propionyl]-D-Homophenylalanyl- Amino-2-Methylbutane PDB code: 1ewl(A).
		20. Ligand: RL2 × 1 N-[3-Carboxy-2-Hydroxy-Propionyl]-L-Homophenylalanyl- Amino-2-Methylbutane PDB code: 1ewm(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: 25B × 1 (1r,2r)-2-[(4-Chlorophenyl)carbonyl]-N-{(1s)-1-[2- (Phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide PDB code: 3hd3(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6o2x(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 3lxs(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: PO4 × 3 Phosphate ion PDB codes: 6n3s(A), 6o2x(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 2oz2(A), 3lxs(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3iut(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 3hd3(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2oz2(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2oz2(A).