Ligand clusters for UniProt code Q3J125

Ligand clusters for Q3J125: Cellulose synthase catalytic subunit [UDP-forming] from Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)

		Top 6 (of 8) ligand clusters Cluster 1. 8 ligand types 15 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 1 ligand type 10 ligands Cluster 4. 2 ligand types 5 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 4hg6A

Structures

PDB		Schematic diagram
4hg6A
4p02A
4p00A
5ej1A
5ejzA
		more ...

Cluster 1 contains 8 ligand types

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Ligand		Description
		1. Ligand: PLC × 4 Diundecyl phosphatidyl choline PDB codes: 4p00(A), 4p02(A), 5eiy(A), 5ejz(A).
		2. Ligand: UDP × 3 Uridine-5'-Diphosphate PDB codes: 4hg6(A), 4p00(A), 5ejz(A).
		3. Ligand: BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC × 2 BGC=Beta-D-Glucopyranose. PDB codes: 4p00(A), 4p02(A).
		4. Ligand: BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC × 2 BGC=Beta-D-Glucopyranose. PDB codes: 4hg6(A), 5ej1(A).
		5. Ligand: 660 × 1 [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-Bis(oxidanylidene) pyrimidin-1-Yl]-3,4-Bis(oxidanyl)oxolan-2- Yl]methoxy- Oxidanyl-Phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s}, 6~{r})-6-(Hydroxymethyl)-3,4,5- Tris(oxidanyl)oxan-2- Yl]methyl]phosphinic acid PDB code: 5eiy(A).
		6. Ligand: BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-SHG × 1 BGC=Beta-D-Glucopyranose, SHG=2-Deoxy-2-Fluoro-Beta-D-Glucopyranose. PDB code: 5ejz(A).
		7. Ligand: BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-BGC-GAL × 1 BGC=Beta-D-Glucopyranose, GAL=Beta-D-Galactopyranose. PDB code: 5eiy(A).
		8. Ligand: XP5 × 1 (4s,7r)-7-(Heptanoyloxy)-4-Hydroxy-N,N,N-Trimethyl-10- Oxo-3,5,9-Trioxa-4-Phosphahexadecan-1- Aminium 4-Oxide PDB code: 5ej1(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: LDA × 1 Lauryl dimethylamine-N-Oxide PDB code: 5eiy(A).
		2. Ligand: PLC × 1 Diundecyl phosphatidyl choline PDB code: 4p02(A).
		3. Ligand: UND × 1 Undecane PDB code: 5ejz(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: C2E × 10 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-Tetrahydroxy-5,12-Dioxidooctahydro-2h,7h- Difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-Diyl]bis(2-Amino- 1,9- Dihydro-6h-Purin-6-One) PDB codes: 4p00(A), 4p02(A), 5eiy(A), 5ej1(A), 5ejz(A),

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: 3PE × 4 1,2-Diacyl-Sn-Glycero-3-Phosphoethanolamine PDB codes: 4p00(A), 4p02(A), 5ej1(A), 5ejz(A).
		2. Ligand: 43Y × 1 [(2r)-3-[Oxidanyl-[2-(Trimethyl-L^{4}-Azanyl) ethoxy]phosphoryl]oxy-2-Propanoyloxy- Propyl] propanoate PDB code: 5eiy(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: LDA × 1 Lauryl dimethylamine-N-Oxide PDB code: 4hg6(A).
		2. Ligand: XP5 × 1 (4s,7r)-7-(Heptanoyloxy)-4-Hydroxy-N,N,N-Trimethyl-10- Oxo-3,5,9-Trioxa-4-Phosphahexadecan-1- Aminium 4-Oxide PDB code: 5ej1(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: PLC × 1 Diundecyl phosphatidyl choline PDB code: 5ejz(A).