Ligand clusters for UniProt code P0A6G7

Ligand clusters for P0A6G7: ATP-dependent Clp protease proteolytic subunit from Escherichia coli (strain K12)

		5 ligand clusters Cluster 1. 4 ligand types 6 ligands Cluster 2. 3 ligand types 5 ligands Cluster 3. 3 ligand types 10 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 5 ligands
Representative protein: 1yg6A

Structures

PDB		Schematic diagram
1yg6A
6nb1A
3mt6O
6nb1I
2fzsA
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: KHS × 2 N-{2-[(2-Chlorophenyl)sulfanyl]ethyl}-2-Methyl-2-{[5- (Trifluoromethyl)pyridin-2- Yl]sulfonyl}propanamide PDB codes: 6nb1(A),
		2. Ligand: OTT-PHE-SER-PRO-MAA-ALA-MP8 × 2 OTT=(2e,4e,6e)-Octa-2,4,6-Trienoic acid, MAA=N-Methyl-L-Alanine, MP8=(4r)-4-Methyl-L-Proline. PDB codes: 3mt6(R),
		3. Ligand: GLY-ILE-GLY-PHE-GLY-ALA-THR-VAL-LYS × 1 PDB code: 6ppe(A).
		4. Ligand: PGE × 1 Triethylene glycol PDB code: 2fzs(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: KHS × 2 N-{2-[(2-Chlorophenyl)sulfanyl]ethyl}-2-Methyl-2-{[5- (Trifluoromethyl)pyridin-2- Yl]sulfonyl}propanamide PDB codes: 6nb1(A),
		2. Ligand: OTT-PHE-SER-PRO-MAA-ALA-MP8 × 2 OTT=(2e,4e,6e)-Octa-2,4,6-Trienoic acid, MAA=N-Methyl-L-Alanine, MP8=(4r)-4-Methyl-L-Proline. PDB codes: 3mt6(R),
		3. Ligand: GLY-ILE-GLY-PHE-GLY-ALA-THR-VAL-LYS × 1 PDB code: 6ppe(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 2fzs(A), 6nb1(A),
		2. Ligand: MPD × 6 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1yg6(A), 3mt6(R),
		3. Ligand: CMQ × 1 N~2~-[(Benzyloxy)carbonyl]-N-[(1s,2s)-2-Hydroxy-1-(4- Hydroxybenzyl)propyl]-L-Leucinamide PDB code: 2fzs(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: CMQ × 1 N~2~-[(Benzyloxy)carbonyl]-N-[(1s,2s)-2-Hydroxy-1-(4- Hydroxybenzyl)propyl]-L-Leucinamide PDB code: 2fzs(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 2fzs(A), 6nb1(A),
		2. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3mt6(R),