Ligand clusters for UniProt code Q14790

Ligand clusters for Q14790: Caspase-8 from Homo sapiens

		Top 6 (of 7) ligand clusters Cluster 1. 12 ligand types 19 ligands Cluster 2. 3 ligand types 11 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 4jj7A

Structures

PDB		Schematic diagram
4jj7A
4ps1A
4przA
3h11B
2y1lA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: ACE-ILE-GLU-THR-ASJ × 2 ACE=Acetyl group, ASJ=(3s)-3-Amino-4-Hydroxybutanoic acid. PDB codes: 1qtn(A),
		2. Ligand: B93 × 2 (3s)-3-({[(5s)-2-{2-[(1h-Benzimidazol-5-Ylcarbonyl) amino]ethyl}-7-(Cyclohexylmethyl)-1,3-Dioxo- 2,3,5,8- Tetrahydro-1h-[1,2,4]triazolo[1,2-A]pyridazin-5- Yl]carbonyl}amino)-4-Oxopentanoic acid PDB codes: 3kjn(A),
		3. Ligand: B94 × 2 (3s)-3-({[(5s,8r)-2-(3-Carboxypropyl)-8-(2-{[(4- Chlorophenyl)acetyl]amino}ethyl)-1,3-Dioxo- 2,3,5,8- Tetrahydro-1h-[1,2,4]triazolo[1,2-A]pyridazin-5- Yl]carbonyl}amino)-4-Oxopentanoic acid PDB codes: 3kjq(A),
		4. Ligand: ILE-GLU-THR-ASP × 2 PDB codes: 2y1l(A),
		5. Ligand: PHQ-ASP-GLU-VAL-ASA × 2 PHQ=Benzyl chlorocarbonate, ASA=Aspartic aldehyde. PDB codes: 1f9e(A),
		6. Ligand: PHQ-GLU-VAL-ASP-0QE × 2 PHQ=Benzyl chlorocarbonate, 0QE=Chloromethane. PDB codes: 1qdu(A),
		7. Ligand: PHQ-LEU-GLU-THR-MX5 × 2 PHQ=Benzyl chlorocarbonate, MX5={1-[4-(3,4-Dihydroquinolin-1(2h)-Yl)-4- Oxobutanoyl]hydrazino}acetic acid. PDB codes: 2c2z(A),
		8. Ligand: ACE-1MH-ASP-B3L-HLX-1U8 × 1 ACE=Acetyl group, 1MH=3-Pyridin-3-Yl-L-Alanine, B3L=(3s)-3-Amino-5-Methylhexanoic acid, HLX=5-Methyl-L-Norleucine, 1U8=(3s)-3-Amino-5-[(2,6-Dimethylbenzoyl)oxy]-4- Oxopentanoic acid. PDB code: 4jj7(A).
		9. Ligand: ACE-LEU-GLU-THR-1U8 × 1 ACE=Acetyl group, 1U8=(3s)-3-Amino-5-[(2,6-Dimethylbenzoyl)oxy]-4- Oxopentanoic acid. PDB code: 4prz(A).
		10. Ligand: ALA-ILE-GLU-THR-ASA × 1 ASA=Aspartic aldehyde. PDB code: 3h11(B).
		11. Ligand: BAL-LEU-GLN-HYP-1U8 × 1 BAL=Beta-Alanine, HYP=4-Hydroxyproline, 1U8=(3s)-3-Amino-5-[(2,6-Dimethylbenzoyl)oxy]-4- Oxopentanoic acid. PDB code: 4ps1(A).
		12. Ligand: EDO × 1 1,2-Ethanediol PDB code: 2y1l(B).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: DTD × 6 Dithiane diol PDB codes: 1qtn(A), 2c2z(A), 4jj7(A), 4prz(A).
		2. Ligand: DTT × 3 2,3-Dihydroxy-1,4-Dithiobutane PDB codes: 3kjn(A), 4ps1(A).
		3. Ligand: B94 × 2 (3s)-3-({[(5s,8r)-2-(3-Carboxypropyl)-8-(2-{[(4- Chlorophenyl)acetyl]amino}ethyl)-1,3-Dioxo- 2,3,5,8- Tetrahydro-1h-[1,2,4]triazolo[1,2-A]pyridazin-5- Yl]carbonyl}amino)-4-Oxopentanoic acid PDB codes: 3kjq(A),

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: DTD × 1 Dithiane diol PDB code: 4prz(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 2y1l(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: DTD × 1 Dithiane diol PDB code: 1qtn(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: DTD × 1 Dithiane diol PDB code: 4jj7(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 2y1l(A),