Ligand clusters for UniProt code Q9UR08

Ligand clusters for Q9UR08: Aristolochene synthase from Aspergillus terreus

		Top 6 (of 7) ligand clusters Cluster 1. 13 ligand types 54 ligands Cluster 2. 2 ligand types 4 ligands Cluster 3. 1 ligand type 4 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5imiA

Structures

PDB		Schematic diagram
5imiA
5imnA
5impA
4kuxA
5ivgA
		more ...

Cluster 1 contains 13 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 31 PDB codes: 4kux(A), 4kvd(A), 4kvi(A), 4kvw(A), 4kvy(A), 4kwd(A), 5imi(A), 5imn(A), 5imp(A), 5in8(A), 5ivg(A),
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 4kvd(A).
		3. Ligand: POP × 8 Pyrophosphate 2- PDB codes: 4kvd(A), 4kvi(A), 4kvw(A), 4kvy(A), 4kwd(A), 5imi(A), 5imn(A), 5imp(A).
		4. Ligand: JF1 × 4 (1s,5s,8s,9ar)-1,9a-Dimethyl-8-(Prop-1-En-2-Yl) octahydro-2h-Quinolizinium PDB codes: 4kvy(A), 5imi(A), 5imn(A), 5imp(A).
		5. Ligand: FPS × 2 S-[(2e,6e)-3,7,11-Trimethyldodeca-2,6,10-Trienyl] trihydrogen thiodiphosphate PDB codes: 4kux(A), 5ivg(A).
		6. Ligand: 1SS × 1 (1r,4as,7s,8ar)-1,4a-Dimethyl-7-(Prop-1-En-2-Yl) decahydroquinolinium PDB code: 4kvd(A).
		7. Ligand: 1SV × 1 (4as,7s)-4a-Methyl-7-(Prop-1-En-2-Yl)-2,3,4,4a,5,6,7,8- Octahydroquinolinium PDB code: 4kvi(A).
		8. Ligand: FDF × 1 (2e,6e)-12-Fluoro-11-(Fluoromethyl)-3,7-Dimethyldodeca- 2,6,10-Trien-1-Yl trihydrogen diphosphate PDB code: 3cke(A).
		9. Ligand: FPF × 1 (2z,6e)-2-Fluoro-3,7,11-Trimethyldodeca-2,6,10-Trien- 1-Yl trihydrogen diphosphate PDB code: 3bny(A).
		10. Ligand: FPP × 1 Farnesyl diphosphate PDB code: 3bnx(A).
		11. Ligand: JF2 × 1 (1r,5r,8r,9as)-1,9a-Dimethyl-8-(Prop-1-En-2-Yl) octahydro-2h-Quinolizinium PDB code: 4kwd(A).
		12. Ligand: JF4 × 1 (3r,5s,6r,9ar)-6,9a-Dimethyl-3-(Prop-1-En-2-Yl) octahydro-2h-Quinolizinium PDB code: 4kvw(A).
		13. Ligand: PO4 × 1 Phosphate ion PDB code: 5in8(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4kvd(A).
		2. Ligand: BME × 3 Beta-Mercaptoethanol PDB codes: 2e4o(A), 2oa6(A), 3bnx(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 5imi(A), 5imn(A), 5imp(A), 5in8(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5in8(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5ivg(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: BME × 1 Beta-Mercaptoethanol PDB code: 2e4o(A).