Ligand clusters for UniProt code M4STU1

Ligand clusters for M4STU1: ORF1ab protein OS=Human betacoronavirus 2c Jordan-N3/2012 OX=1306931 GN=ORF1ab PE=1 SV=1

		Top 6 (of 17) ligand clusters Cluster 1. 3 ligand types 5 ligands Cluster 2. 3 ligand types 4 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 4rf1A

Structures

PDB		Schematic diagram
4rf1A
4rezA
5w8tA
5w8uA
4rf0A

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: PGO × 3 S-1,2-Propanediol PDB codes: 4rez(A), 4rf1(A),
		2. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 5w8u(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 4rf0(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5w8t(A), 5w8u(A).
		2. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4rf1(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 4rf0(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4rez(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4rf0(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4rf1(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4rf0(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: 3CN × 2 3-Aminopropane PDB codes: 4rf0(A), 4rf1(A).
		2. Ligand: AYE × 2 Prop-2-En-1-Amine PDB codes: 5w8t(A), 5w8u(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5w8t(A), 5w8u(A).