Ligand clusters for UniProt code P0C6X5

Ligand clusters for P0C6X5: Replicase polyprotein 1ab from Human coronavirus NL63

		Top 6 (of 7) ligand clusters Cluster 1. 3 ligand types 3 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 6fv2A

Structures

PDB		Schematic diagram
6fv2A
5nh0A
6fv1A

Cluster 1 contains 3 ligand types

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Ligand		Description
		1. Ligand: 8X8 × 1 ~{Tert}-Butyl ~{n}-[(2~{s},3~{r})-3-Oxidanyl-4- Oxidanylidene-1-[(3~{s})-2-Oxidanylidenepyrrolidin- 3- Yl]-4-[(Phenylmethyl)amino]butan-2-Yl]carbamate PDB code: 5nh0(A).
		2. Ligand: D03 × 1 (S)-N-Benzyl-3-((S)-2-Cinnamamido-3-Phenylpropanamido)- 2-Oxo-4-((S)-2-Oxopyrrolidin-3- Yl)butanamide PDB code: 6fv2(A).
		3. Ligand: E8E × 1 (2~{s})-4-Methyl-~{N}-[(2~{s},3~{r})-3-Oxidanyl-4- Oxidanylidene-1-[(3~{s})-2- Oxidanylidenepyrrolidin-3- Yl]-4-[(Phenylmethyl)amino]butan-2-Yl]-2-[[(~{E})-3- Phenylprop-2- Enoyl]amino]pentanamide PDB code: 6fv1(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6fv1(A).
		2. Ligand: E8E × 1 (2~{s})-4-Methyl-~{N}-[(2~{s},3~{r})-3-Oxidanyl-4- Oxidanylidene-1-[(3~{s})-2- Oxidanylidenepyrrolidin-3- Yl]-4-[(Phenylmethyl)amino]butan-2-Yl]-2-[[(~{E})-3- Phenylprop-2- Enoyl]amino]pentanamide PDB code: 6fv1(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5nh0(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6fv1(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6fv1(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6fv2(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5nh0(A), 6fv1(A).