Ligand clusters for UniProt code Q83883

Ligand clusters for Q83883: Genome polyprotein from Norwalk virus (strain GI/Human/United States/Norwalk/1968)

		Top 6 (of 7) ligand clusters Cluster 1. 23 ligand types 35 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 3 ligand types 3 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 4in1A

Structures

PDB		Schematic diagram
4in1A
4xbcA
5e0hA
2fyrA
5t6gB
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Cluster 1 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: TKV × 4 N~2~-{[2-(3-Chlorophenyl)-2-Methylpropoxy]carbonyl}-N- {(1r,2s)-1-Hydroxy-3-[(3s)-2-Oxopyrrolidin- 3-Yl]-1- Sulfanylpropan-2-Yl}-L-Leucinamide PDB codes: 6w5k(A),
		2. Ligand: 5LH × 3 (Phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9- (Hydroxymethyl)-12-(2-Methylpropyl)-6,11,14- Tris(oxidanylidene)-1,5,10,13,18,19- Hexazabicyclo[15.2.1]icosa-17(20),18-Dien-15- Yl]carbamate PDB codes: 5e0h(A), 6bic(A),
		3. Ligand: M40 × 3 (1r,2s)-2-({N-[(Benzyloxy)carbonyl]-3-Cyclohexyl-L- Alanyl}amino)-1-Hydroxy-3-[(3s)-2- Oxopyrrolidin-3- Yl]propane-1-Sulfonic acid PDB codes: 4xbc(A), 4xbd(A),
		4. Ligand: N38 × 3 3-Cyclohexyl-N-{(2s)-1-Hydroxy-3-[(3s)-2-Oxopyrrolidin- 3-Yl]propan-2-Yl}-N~2~-{[3-(4- Methoxyphenoxy) propyl]sulfonyl}-L-Alaninamide PDB codes: 5t6d(A), 5t6f(A).
		5. Ligand: N40 × 2 3-Cyclohexyl-N-{(2s)-1-Hydroxy-3-[(3s)-2-Oxopyrrolidin- 3-Yl]propan-2-Yl}-N~2~-(Octylsulfonyl)-L- Alaninamide PDB codes: 5t6g(A),
		6. Ligand: TKS × 2 2-(3-Chlorophenyl)-2-Methylpropyl [(2s)-3-Cyclohexyl-1- ({(1r,2s)-1-Hydroxy-3-[(3s)-2- Oxopyrrolidin-3-Yl]-1- Sulfanylpropan-2-Yl}amino)-1-Oxopropan-2-Yl]carbamate PDB codes: 6w5j(A),
		7. Ligand: V45 × 2 (2s)-2-{(5s)-5-[(3-Chlorophenyl)methyl]-2-Oxo-1,3- Oxazolidin-3-Yl}-4-Methyl-N-{(2s)-1-Oxo-3-[(3s)- 2- Oxopyrrolidin-3-Yl]propan-2-Yl}pentanamide PDB codes: 5wej(A),
		8. Ligand: 3ZR × 1 Diethyl [(1r,2s)-2-[(N-{[(3-Chlorobenzyl)oxy]carbonyl}- 3-Cyclohexyl-L-Alanyl)amino]-1-Hydroxy-3- (2-Oxo-2h- Pyrrol-3-Yl)propyl]phosphonate PDB code: 4xbb(A).
		9. Ligand: 5LG × 1 (Phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8- (Hydroxymethyl)-11-(2-Methylpropyl)-5,10,13- Tris(oxidanylidene)-1,4,9,12,17,18- Hexazabicyclo[14.2.1]nonadeca-16(19),17-Dien-14- Yl]carbamate PDB code: 5e0g(A).
		10. Ligand: 5LJ × 1 (Phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15- (Cyclohexylmethyl)-12-(Hydroxymethyl)-9,14,17- Tris(oxidanylidene)-1,8,13,16,21,22- Hexazabicyclo[18.2.1]tricosa-20(23),21-Dien-18- Yl]carbamate PDB code: 5e0j(A).
		11. Ligand: DW4 × 1 Benzyl [(8s,11s,14s)-11-(Cyclohexylmethyl)-8- (Hydroxymethyl)-5,10,13-Trioxo-1,4,9,12,17,18- Hexaazabicyclo[14.2.1]nonadeca-16(19),17-Dien-14- Yl]carbamate PDB code: 6bid(A).
		12. Ligand: DW7 × 1 Benzyl [(9s,12s,15s)-12-(Cyclohexylmethyl)-9- (Hydroxymethyl)-6,11,14-Trioxo-1,5,10,13,18,19- Hexaazabicyclo[15.2.1]icosa-17(20),18-Dien-15- Yl]carbamate PDB code: 6bib(A).
		13. Ligand: K36 × 1 (1s,2s)-2-({N-[(Benzyloxy)carbonyl]-L-Leucyl}amino)-1- Hydroxy-3-[(3s)-2-Oxopyrrolidin-3- Yl]propane-1- Sulfonic acid PDB code: 3ur9(A).
		14. Ligand: PHQ-ALA-LEU-1HB × 1 PHQ=Benzyl chlorocarbonate, 1HB=(4s)-4-Amino-5-Hydroxy-N,N-Dimethylpentanamide. PDB code: 4inh(A).
		15. Ligand: PHQ-LEU-PHE-1HB × 1 PHQ=Benzyl chlorocarbonate, 1HB=(4s)-4-Amino-5-Hydroxy-N,N-Dimethylpentanamide. PDB code: 4imz(A).
		16. Ligand: PHQ-LEU-PHE-1HD × 1 PHQ=Benzyl chlorocarbonate, 1HD=N-[(2s)-2-Amino-3-Hydroxypropyl]acetamide. PDB code: 4imq(A).
		17. Ligand: T0D × 1 (2~{s})-~{N}-[(1~{r})-1-[Bis(l^{1}-Oxidanyl)-Methoxy- L^{5}-Sulfanyl]-1-Oxidanyl-3-[(3~{r})-2- Oxidanylidenepyrrolidin-3-Yl]propan-2-Yl]-2-[[[2-(3- Chlorophenyl)-2-Methyl-Propoxy]- Oxidanylidene- Methyl]amino]-4-Methyl-Pentanamide PDB code: 6w5l(A).
		18. Ligand: TKP × 1 2-(3-Chlorophenyl)-2-Methylpropyl [(2s)-3-Cyclohexyl-1- ({(2s)-1-Hydroxy-3-[(3s)-2-Oxopyrrolidin-3- Yl]propan- 2-Yl}amino)-1-Oxopropan-2-Yl]carbamate PDB code: 6w5h(A).
		19. Ligand: V56 × 1 (4s,7s,17s)-17-(3-Chlorophenyl)-7-(Hydroxymethyl)-4-(2- Methylpropyl)-1-Oxa-3,6,11- Triazacycloheptadecane-2,5, 10-Trione PDB code: 5tg1(A).
		20. Ligand: V64 × 1 Tert-Butyl [(4s,7s,10s)-7-(Cyclohexylmethyl)-10- (Hydroxymethyl)-5,8,13-Trioxo-22-Oxa-6,9,14,20,21- Pentaazabicyclo[17.2.1]docosa-1(21),19-Dien-4- Yl]carbamate PDB code: 5dgj(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: PHQ-ALA-LEU-1HB × 1 PHQ=Benzyl chlorocarbonate, 1HB=(4s)-4-Amino-5-Hydroxy-N,N-Dimethylpentanamide. PDB code: 4inh(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 4xbc(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4inh(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 5e0h(A).
_Cl		3. Metal: _CL × 1 PDB code: 2fyr(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: PO4 × 1 Phosphate ion PDB code: 2fyq(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 4in1(A), 4xbb(A).