Ligand clusters for UniProt code Q99IB8

Ligand clusters for Q99IB8: Genome polyprotein from Hepatitis C virus genotype 2a (isolate JFH-1)

		Top 6 (of 33) ligand clusters Cluster 1. 18 ligand types 57 ligands Cluster 2. 5 ligand types 10 ligands Cluster 3. 2 ligand types 5 ligands Cluster 4. 3 ligand types 3 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 3i5kA

Structures

PDB		Schematic diagram
3i5kA
5qj1A
4aepA
2xxdA
4wtmA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
_Mn		1. Metal: _MN × 24 PDB codes: 4wta(A), 4wtc(A), 4wtd(A), 4wte(A), 4wtf(A), 4wtg(A), 4wti(A), 4wtj(A), 4wtk(A), 4wtl(A), 4wtm(A), 5uj2(A),
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4obc(A), 5qj1(A).
		3. Ligand: PO4 × 5 Phosphate ion PDB codes: 2xym(A), 3i5k(A), 4aep(A).
		4. Ligand: SO4 × 3 Sulfate ion PDB codes: 4e76(A), 5twm(A),
		5. Ligand: UDP × 3 Uridine-5'-Diphosphate PDB codes: 4wta(A), 4wtl(A), 4wtm(A).
		6. Ligand: __G-__G × 3 PDB codes: 4wtj(A), 4wtk(A), 4wtl(A).
		7. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 4wtd(A), 4wtj(A).
		8. Ligand: CDP × 2 Cytidine-5'-Diphosphate PDB codes: 4wtc(A), 4wtk(A).
		9. Ligand: GDP × 2 Guanosine-5'-Diphosphate PDB codes: 4wte(A), 4wti(A).
		10. Ligand: PG4 × 2 Tetraethylene glycol PDB codes: 5qj1(A), 5twm(A).
		11. Ligand: __C-__C × 2 PDB codes: 4wti(A), 4wtm(A).
		12. Ligand: 5GS × 1 2'-C-Methyluridine 5'-(Trihydrogen diphosphate) PDB code: 4wtf(A).
		13. Ligand: 6GS × 1 2'-Deoxy-2'-Fluoro-2'-Methyluridine 5'-(Trihydrogen diphosphate) PDB code: 4wtg(A).
		14. Ligand: 7NG × 1 5-[3-(Tert-Butylcarbamoyl)phenyl]-6-(Ethylamino)-2-(4- Fluorophenyl)-N-Methylfuro[2,3-B]pyridine-3- Carboxamide PDB code: 5twm(A).
		15. Ligand: 8B4 × 1 (1s)-1-(4-Aminoimidazo[2,1-F][1,2,4]triazin-7-Yl)-1,4- Anhydro-2-Deoxy-2-Fluoro-5-O-[(S)- Hydroxy(phosphonooxy)phosphoryl]-2-Methyl-D-Ribitol PDB code: 5uj2(A).
		16. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4e76(A).
		17. Ligand: J6D × 1 6-[Ethyl(methylsulfonyl)amino]-2-(4-Fluorophenyl)-N- Methyl-5-(3-{[1-(Pyrimidin-2- Yl) cyclopropyl]carbamoyl}phenyl)-1-Benzofuran-3- Carboxamide PDB code: 5qj0(A).
		18. Ligand: J6J × 1 6-(Ethylamino)-2-(4-Fluorophenyl)-5-(3-{[1-(5- Fluoropyrimidin-2-Yl)cyclopropyl]carbamoyl}-4- Methoxyphenyl)-N-Methyl-1-Benzofuran-3-Carboxamide PDB code: 5qj1(A).

Cluster 2 contains 5 ligand types

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Ligand		Description
		1. Ligand: PG6 × 5 1-(2-Methoxy-Ethoxy)-2-{2-[2-(2-Methoxy-Ethoxy]- Ethoxy}-Ethane PDB codes: 4obc(A), 4wt9(A), 4wtj(A), 4wtk(A), 4wtl(A).
		2. Ligand: PG4 × 2 Tetraethylene glycol PDB codes: 5qj1(A),
		3. Ligand: 2PE × 1 Nonaethylene glycol PDB code: 5qj0(A).
		4. Ligand: PE5 × 1 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-Ol PDB code: 5twm(A).
		5. Ligand: PO4 × 1 Phosphate ion PDB code: 2xxd(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: B3P × 4 2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)- Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 4wti(A), 4wtj(A), 4wtk(A), 4wtl(A).
		2. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 5twm(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5qj0(A).
		2. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 4wtj(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 3i5k(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 4wt9(A).
		2. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 4obc(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5qj0(A).
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4e76(A), 5qj1(A).