Ligand clusters for UniProt code P00784

Ligand clusters for P00784: Papain OS=Carica papaya OX=3649 PE=1 SV=1

		Top 6 (of 14) ligand clusters Cluster 1. 20 ligand types 26 ligands Cluster 2. 1 ligand type 2 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 3tnxA

Structures

PDB		Schematic diagram
3tnxA
4qrgA
4qrvA
4kp9A
6h8tA
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Cluster 1 contains 20 ligand types

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Ligand		Description
		1. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 3e1z(B).
		2. Ligand: CYS × 1 cysteine PDB code: 2pad(A).
		3. Ligand: ACT × 4 Acetate ion PDB codes: 4kp9(A), 6h8t(A),
		4. Ligand: E6C × 2 N-[1-Hydroxycarboxyethyl-Carbonyl]leucylamino-2-Methyl- Butane PDB codes: 1pe6(A), 1ppp(A).
		5. Ligand: LEU-PHE-GLY-0HQ × 2 0HQ=Diazomethane. PDB codes: 1khp(A), 1khq(A).
		6. Ligand: YXZ × 2 Chloro[n,N-Di(pyridin-2-Yl-Kappan)pentane-1,5- Diamine]ruthenium PDB codes: 4kp9(A), 6h8t(A).
		7. Ligand: 0PC × 1 Nalpha-[(Benzyloxy)carbonyl]-N-[(1s)-3-Chloro-1-Methyl- 2-Oxopropyl]-L-Phenylalaninamide PDB code: 6pad(A).
		8. Ligand: ACE-ALA-ALA-PHE-ALA-0QE × 1 ACE=Acetyl group, 0QE=Chloromethane. PDB code: 1pad(A).
		9. Ligand: ACE-LEU-LEU-AR7 × 1 ACE=Acetyl group, AR7=Amino{[(4s)-4-Amino-5,5- Dihydroxypentyl]amino}methaniminium. PDB code: 1pop(A).
		10. Ligand: ALD × 1 N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(2s)-1-Hydroxy-4- Methylpentan-2-Yl]-L-Leucinamide PDB code: 1bp4(A).
		11. Ligand: BME × 1 Beta-Mercaptoethanol PDB code: 1ppd(A).
		12. Ligand: BU1 × 1 1,4-Butanediol PDB code: 4kp9(A).
		13. Ligand: C48 × 1 N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2- Pyridin-2-Yl-Ethyl)-Succinamide PDB code: 1cvz(A).
		14. Ligand: GLY-GLY-THR × 1 PDB code: 2cio(A).
		15. Ligand: LEU-SER-LEU-ALA × 1 PDB code: 2cio(A).
		16. Ligand: PHQ-GLY-PHE-GLY-0QE × 1 PHQ=Benzyl chlorocarbonate, 0QE=Chloromethane. PDB code: 5pad(A).
		17. Ligand: SBA × 1 Carbobenzyloxy-(L)-Leucinyl-(L)leucinyl methoxymethylketone PDB code: 1bqi(A).
		18. Ligand: SER-ASN × 1 PDB code: 3lfy(A).
		19. Ligand: SIN-GLN-VAL-VAL-ALA-ALA-NIT × 1 SIN=Succinic acid, NIT=4-Nitroaniline. PDB code: 1pip(A).
		20. Ligand: TCK × 1 N-[(1s)-5-Amino-1-(Chloroacetyl)pentyl]-4- Methylbenzenesulfonamide PDB code: 4pad(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: YXX × 2 Chloro(1-{5-[Di(pyridin-2-Yl-Kappan) amino]pentyl}pyrrolidine-2,5-Dione)ruthenium PDB codes: 4kp9(A), 6h8t(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2cio(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 2cio(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2cio(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 4kp9(A), 6h8t(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 2cio(A), 3ima(A).