Ligand clusters for UniProt code Q3JK38

Ligand clusters for Q3JK38: Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei (strain 1710b)

		5 ligand clusters Cluster 1. 8 ligand types 11 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 2 ligands
Representative protein: 3uf8A

Structures

PDB		Schematic diagram
3uf8A
6o49A
4fn2A
4ggqC
4g50A
		more ...

Cluster 1 contains 8 ligand types

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Ligand		Description
		1. Ligand: FK5 × 2 tacrolimus 8-Deethyl-8-[But-3-Enyl]-Ascomycin PDB codes: 3uf8(A), 3uqb(A).
		2. Ligand: 861 × 2 3-(3,4,5-Trimethoxyphenyl)propyl (2s)-1- (Benzylsulfonyl)piperidine-2-Carboxylate PDB codes: 4g50(A), 4ggq(C).
		3. Ligand: LLD × 2 2-(Pyridin-3-Ylcarbonylamino)ethyl (2~{s})-1- (Phenylmethyl)sulfonylpiperidine-2-Carboxylate PDB codes: 6o4a(A),
		4. Ligand: 4GI × 1 3-(Pyridin-3-Yl)propyl (2s)-1-[(3-Nitrophenyl) sulfonyl]piperidine-2-Carboxylate PDB code: 4giv(A).
		5. Ligand: 6UO × 1 2-[(2~{s})-1-(Phenylmethyl)sulfonylpiperidin-2- Yl]carbonyloxyethyl pyridine-3-Carboxylate PDB code: 5klx(A).
		6. Ligand: 854 × 1 Ethyl (2s)-1-(Benzylsulfonyl)piperidine-2-Carboxylate PDB code: 4fn2(A).
		7. Ligand: LL7 × 1 (2~{s})-~{N}-[3-Oxidanylidene-3-[(3,4,5- Trimethoxyphenyl)amino]propyl]-1-(Phenylmethyl) sulfonyl- Piperidine-2-Carboxamide PDB code: 6o49(A).
		8. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5klx(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: IMD × 1 Imidazole PDB code: 5klx(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: IMD × 1 Imidazole PDB code: 5klx(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6o49(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 1 PDB code: 5klx(A).
_Ca		2. Metal: _CA × 1 PDB code: 4ggq(C).