Ligand clusters for UniProt code A8DG50

Ligand clusters for A8DG50: Genome polyprotein OS=Hepatitis C virus subtype 1a PE=1 SV=2

		Top 6 (of 16) ligand clusters Cluster 1. 10 ligand types 36 ligands Cluster 2. 1 ligand type 1 ligand 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: 3rc6A

Structures

PDB		Schematic diagram
3rc6A
3sugA
3sudA
4wh6A
3su2A
		more ...

Cluster 1 contains 10 ligand types

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Ligand		Description
		1. Ligand: SV6 × 4 telaprevir (1s,3ar,6as)-2-[(2s)-2-({(2s)-2-Cyclohexyl-2-[(Pyrazin- 2-Ylcarbonyl)amino]acetyl}amino)-3,3- Dimethylbutanoyl]-N-[(2r,3s)-1-(Cyclopropylamino)-2- Hydroxy-1-Oxohexan-3- Yl]octahydrocyclopenta[c]pyrrole- 1-Carboxamide PDB codes: 3sv6(A), 3sv7(A), 3sv8(A), 3sv9(A).
		2. Ligand: SO4 × 11 Sulfate ion PDB codes: 3m5l(A), 3m5m(A), 3m5o(A), 3su1(A), 3su3(A), 3su4(A), 3su5(A), 3sv9(A), 4wh6(A), 4wh8(A).
		3. Ligand: SU3 × 5 (5r,7s,10s)-10-Tert-Butyl-N-{(1r,2r)-1- [(Cyclopropylsulfonyl)carbamoyl]-2-Ethylcyclopropyl}- 15,15-Dimethyl-3,9,12-Trioxo-6,7,9,10,11,12,14,15,16, 17,18,19-Dodecahydro-1h,5h-2,23:5,8- Dimethano-4,13,2, 8,11-Benzodioxatriazacyclohenicosine-7(3h)-Carboxamide PDB codes: 3su3(A), 3su4(A), 3su5(A), 3su6(A).
		4. Ligand: SUE × 4 (1ar,5s,8s,10r,22ar)-5-Tert-Butyl-N-{(1r,2s)-1- [(Cyclopropylsulfonyl)carbamoyl]-2- Ethenylcyclopropyl}-14-Methoxy-3,6-Dioxo-1,1a,3,4,5,6, 9,10,18,19,20,21,22,22a-Tetradecahydro-8h- 7,10- Methanocyclopropa[18,19][1,10,3, 6]dioxadiazacyclononadecino[11,12-B]quinoxaline-8- Carboxamide PDB codes: 3sud(A), 3sue(A), 3suf(A), 3sug(A).
		5. Ligand: TSV × 4 (2r,6s,12z,13as,14ar,16as)-6-[(Tert-Butoxycarbonyl) amino]-14a-[(Cyclopropylsulfonyl)carbamoyl]- 5,16- Dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a- Hexadecahydrocyclopropa[e]pyrrolo[1,2- A][1, 4]diazacyclopentadecin-2-Yl 4-Fluoro-2h-Isoindole-2- Carboxylate PDB codes: 3m5l(A), 3su0(A), 3su1(A), 3su2(A).
		6. Ligand: GOL × 3 Glycerol PDB codes: 4nwk(A),
		7. Ligand: 2R9 × 2 N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-4-[(7- Chloro-4-Methoxyisoquinolin-1-Yl)oxy]-N- {(1r,2s)-1- [(Cyclopropylsulfonyl)carbamoyl]-2- Ethenylcyclopropyl}-L-Prolinamide PDB codes: 4nwl(A), 4wh6(A).
		8. Ligand: 2R8 × 1 N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-N-{(1r, 2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2- Ethenylcyclopropyl}-4-[(6-Methoxyisoquinolin-1-Yl) oxy]-L-Prolinamide PDB code: 4nwk(A).
		9. Ligand: 3M7 × 1 Tert-Butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-Chloro-4- Methoxyisoquinolin-1-Yl)oxy]-14a- {[Cyclopropyl(dihydroxy)-Lambda~4~- Sulfanyl]carbamoyl}-5,16-Dioxo- 1,2,3,5,6,7,8,9,10,11, 13a,14,14a,15,16,16a- Hexadecahydrocyclopropa[e]pyrrolo[1,2- A][1, 4]diazacyclopentadecin-6-Yl]carbamate PDB code: 4wh8(A).
		10. Ligand: ACE-THR-GLU-ASP-VAL-VAL-CYS-CYS × 1 ACE=Acetyl group. PDB code: 3m5o(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 3m5m(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 Glycerol PDB code: 3sv9(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 3sud(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 Glycerol PDB code: 3su6(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 Glycerol PDB code: 3sv6(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 Glycerol PDB codes: 3sv8(A), 4nwk(A).