Ligand clusters for UniProt code B9MKT4

Ligand clusters for B9MKT4: Pectate lyase OS=Caldicellulosiruptor bescii (strain ATCC BAA-1888 / DSM 6725 / Z-1320) GN=Athe_1854 PE=1 SV=1

		Top 6 (of 14) ligand clusters Cluster 1. 11 ligand types 40 ligands Cluster 2. 4 ligand types 11 ligands Cluster 3. 2 ligand types 15 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 4yz0A

Structures

PDB		Schematic diagram
4yz0A
4yzxA
3t9gA
4z03A
4z06A
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
_Ca		1. Metal: _CA × 22 PDB codes: 4ew9(A), 4yz0(A), 4yza(A), 4yzq(A), 4yzx(A), 4z03(A), 4z05(A), 4z06(A),
		2. Ligand: ADA-ADA-ADA × 4 ADA=Alpha-D-Galactopyranuronic acid. PDB codes: 4yza(A), 4yzq(A), 4yzx(A), 4z03(A).
		3. Ligand: GTR-ADA-ADA × 4 ADA=Alpha-D-Galactopyranuronic acid, GTR=Beta-D-Galactopyranuronic acid. PDB codes: 4yz0(A), 4yza(A), 4yzq(A), 4z03(A).
		4. Ligand: X1X-ADA-ADA × 2 X1X=Alpha-D-Talopyranuronic acid, ADA=Alpha-D-Galactopyranuronic acid. PDB codes: 4yz0(A), 4yza(A).
_Cl		5. Metal: _CL × 2 PDB codes: 4yzx(A), 4z05(A).
		6. Ligand: ADA × 1 Alpha-D-Galactopyranuronic acid PDB code: 4z06(A).
		7. Ligand: DGU × 1 D-Galacturonic acid PDB code: 4ew9(A).
		8. Ligand: GOL × 1 Glycerol PDB code: 3t9g(A).
		9. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 4yzx(A).
		10. Ligand: UNG × 1 4-O-(4-Deoxy-Beta-L-Threo-Hex-4-Enopyranuronosyl)- Alpha-D-Galactopyranuronic acid PDB code: 4ew9(A).
_Na		11. Metal: _NA × 1 PDB code: 3t9g(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: GTR-ADA-ADA × 5 ADA=Alpha-D-Galactopyranuronic acid, GTR=Beta-D-Galactopyranuronic acid. PDB codes: 4yz0(A), 4yza(A), 4yzq(A), 4yzx(A), 4z03(A).
		2. Ligand: ADA-ADA-ADA × 4 ADA=Alpha-D-Galactopyranuronic acid. PDB codes: 4yz0(A), 4yza(A), 4yzq(A), 4yzx(A).
		3. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 4yz0(A).
		4. Ligand: X0X-ADA-ADA × 1 ADA=Alpha-D-Galactopyranuronic acid, X0X=Beta-D-Talopyranuronic acid. PDB code: 4yz0(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 9 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 4ew9(A), 4yza(A), 4yzq(A), 4yzx(A), 4z05(A), 4z06(A),
		2. Ligand: MRD × 6 (4r)-2-Methylpentane-2,4-Diol PDB codes: 3t9g(A), 4yz0(A), 4yza(A), 4yzx(A), 4z06(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 3t9g(A), 4z05(A).
		2. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 3t9g(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4yz0(A).
		2. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 4yz0(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: ADA × 1 Alpha-D-Galactopyranuronic acid PDB code: 4ew9(A).
_Ca		2. Metal: _CA × 1 PDB code: 4ew9(A).