Ligand clusters for UniProt code B6H6L7

Ligand clusters for B6H6L7: Lovastatin esterase from Penicillium rubens (strain ATCC 28089 / DSM 1075 / NRRL 1951 / Wisconsin 54-1255)

		4 ligand clusters Cluster 1. 4 ligand types 4 ligands Cluster 2. 1 ligand type 3 ligands Cluster 3. 1 ligand type 3 ligands Cluster 4. 1 ligand type 1 ligand
Representative protein: 6kjdB

Structures

PDB		Schematic diagram
6kjdB
6kjeB
6kjfB

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 6kje(B).
		2. Ligand: LVA × 1 (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-Dimethyl-8-{[(2r)-2- Methylbutanoyl]oxy}-1,2,6,7,8,8a- Hexahydronaphthalen- 1-Yl)-3,5-Dihydroxyheptanoic acid PDB code: 6kjd(B).
		3. Ligand: MJA × 1 (3r,5r)-3,5-Dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-Hydroxy-2, 6-Dimethyl-1,2,6,7,8,8a- Hexahydronaphthalen-1- Yl]heptanoic acid PDB code: 6kje(B).
		4. Ligand: SIM × 1 Simvastatin acid PDB code: 6kjf(B).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: 144 × 3 Tris-Hydroxymethyl-Methyl-Ammonium PDB codes: 6kjd(B), 6kje(B), 6kjf(B).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: 144 × 3 Tris-Hydroxymethyl-Methyl-Ammonium PDB codes: 6kjd(B), 6kje(B), 6kjf(B).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: 144 × 1 Tris-Hydroxymethyl-Methyl-Ammonium PDB code: 6kjf(B).