Ligand clusters for UniProt code Q9ZAG3

Ligand clusters for Q9ZAG3: Limonene-1,2-epoxide hydrolase from Rhodococcus erythropolis

		Top 6 (of 9) ligand clusters Cluster 1. 7 ligand types 18 ligands Cluster 2. 2 ligand types 4 ligands Cluster 3. 1 ligand type 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 4 ligands Cluster 6. 1 ligand type 3 ligands
Representative protein: 4r9lC

Structures

PDB		Schematic diagram
4r9lC
5ck6A
5clkA
5yngA
4xbtA
		more ...

Cluster 1 contains 7 ligand types

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Ligand		Description
		1. Ligand: HPN × 1 Heptanamide PDB code: 1nww(A).
		2. Ligand: VPR × 1 2-Propylpentanamide PDB code: 1nu3(A).
		3. Ligand: 3ZS × 7 (1r,5s)-6-Oxabicyclo[3.1.0]hexane PDB codes: 4xby(C), 5ck6(A), 5yao(A), 5yng(A), 5yqt(C).
		4. Ligand: HYH × 4 (2r)-2-Hydroxyhexanamide PDB codes: 4r9k(A), 4r9l(A),
		5. Ligand: 3ZQ × 3 (1s,2s)-Cyclohexane-1,2-Diol PDB codes: 4xbt(A), 5clk(A), 5jpu(A).
		6. Ligand: 40O × 1 (1r,2r)-Cyclohexane-1,2-Diol PDB code: 4xdv(C).
		7. Ligand: 6VV × 1 (1~{r},2~{r})-Cyclopentane-1,2-Diol PDB code: 5gkw(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4r9k(A),
		2. Ligand: MES × 2 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 1nu3(A), 1nww(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4r9k(B),

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4r9k(B).

Cluster 5 contains 2 ligand types

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Ligand		Description
__K		1. Metal: __K × 2 PDB codes: 5ck6(B), 5yng(B).
_Na		2. Metal: _NA × 2 PDB codes: 5yao(A),

Cluster 6 contains 1 ligand type

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Ligand		Description
__K		1. Metal: __K × 3 PDB codes: 5ck6(A), 5clk(A), 5yng(A).