Ligand clusters for UniProt code P53396

Ligand clusters for P53396: ATP-citrate synthase from Homo sapiens

		Top 6 (of 16) ligand clusters Cluster 1. 14 ligand types 48 ligands Cluster 2. 7 ligand types 23 ligands Cluster 3. 3 ligand types 6 ligands Cluster 4. 4 ligand types 6 ligands Cluster 5. 5 ligand types 21 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 6uuwA

Structures

PDB		Schematic diagram
6uuwA
6hxhA
7liwB
6poeA
7lj9D
		more ...

Cluster 1 contains 14 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 4 PDB codes: 5tdf(B), 5tdm(B), 5tes(B), 6hxh(A).
		2. Ligand: CIT × 1 citric acid Citric acid PDB code: 3mwd(A).
		3. Ligand: PO4 × 7 Phosphate ion PDB codes: 5tdz(A), 5te1(A), 5teq(A), 5tet(A), 6hxh(A).
		4. Ligand: COA × 6 Coenzyme a PDB codes: 6hxh(A), 6poe(A), 6qfb(A), 6uia(C), 6uuz(A), 7liw(B).
		5. Ligand: FLC × 5 Citrate anion PDB codes: 5tde(A), 5teq(A), 5tes(A), 6hxh(A).
		6. Ligand: 7A3 × 4 3-C-Carboxy-2-Deoxy-D-Erythro-Pentaric acid PDB codes: 5tdf(A), 5tet(A),
		7. Ligand: ACO × 4 Acetyl coenzyme A PDB codes: 6ui9(A), 6uv5(A), 7lj9(D), 7lla(A).
		8. Ligand: OAA × 4 Oxaloacetate ion PDB codes: 6ui9(A), 6uv5(A), 7lj9(D), 7lla(A).
		9. Ligand: TLA × 4 L(+)-Tartaric acid PDB codes: 3mwe(A), 3pff(A), 5tdz(A),
		10. Ligand: 2HP × 3 Dihydrogenphosphate ion PDB codes: 5tde(A), 6qfb(A).
		11. Ligand: 7A2 × 3 3-C-Carboxy-2-Deoxy-L-Threo-Pentaric acid PDB codes: 5tdm(A), 5te1(A).
		12. Ligand: LBG × 1 Methyl 3-Chloro-5-[(4,6-Difluoro[1,1'-Biphenyl]-3-Yl) sulfamoyl]-4-Hydroxybenzoate PDB code: 6o0h(A).
		13. Ligand: QHD × 1 (2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r}, 4~{s},5~{s})-5-(6-Aminopurin-9-Yl)-4- Oxidanyl-3- Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl- Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-3,3- Dimethyl-2- Oxidanyl-Butanoyl]amino]propanoylamino]ethylsulfanyl]- 2-Oxidanyl-2-Phosphonooxy- Ethyl]-2-Oxidanyl- Butanedioic acid PDB code: 6uuw(A).
		14. Ligand: Y2A × 1 (2s)-2-Hydroxy-2-[2-Oxo-2-(Phosphonooxy) ethyl]butanedioic acid PDB code: 7liw(B).

Cluster 2 contains 7 ligand types

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Ligand		Description
		1. Ligand: COA × 6 Coenzyme a PDB codes: 6hxh(A), 6hxl(A), 6hxm(A), 6poe(A), 6qfb(A), 6uuz(A).
		2. Ligand: OAA × 6 Oxaloacetate ion PDB codes: 6ui9(A), 6uv5(A), 6z2h(A), 7lj9(A), 7lla(A).
		3. Ligand: ACO × 4 Acetyl coenzyme A PDB codes: 6ui9(A), 6uv5(A), 6z2h(A), 7lla(A).
		4. Ligand: FLC × 3 Citrate anion PDB codes: 6hxk(A), 6hxl(A), 6hxm(A).
		5. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6hxk(A),
		6. Ligand: Q5B × 1 (3s)-Citryl-Coenzyme a PDB code: 6z2h(A).
		7. Ligand: QHD × 1 (2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r}, 4~{s},5~{s})-5-(6-Aminopurin-9-Yl)-4- Oxidanyl-3- Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl- Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-3,3- Dimethyl-2- Oxidanyl-Butanoyl]amino]propanoylamino]ethylsulfanyl]- 2-Oxidanyl-2-Phosphonooxy- Ethyl]-2-Oxidanyl- Butanedioic acid PDB code: 6uuw(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: OAA × 3 Oxaloacetate ion PDB codes: 7lj9(A), 7lla(A).
		2. Ligand: FLC × 2 Citrate anion PDB codes: 6hxk(A), 6hxl(A).
		3. Ligand: Q5B × 1 (3s)-Citryl-Coenzyme a PDB code: 6z2h(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 5tde(A), 5tdf(A), 5tdz(A).
		2. Ligand: ADE × 1 adenine Adenine PDB code: 5tdf(A).
		3. Ligand: ADN × 1 adenosine Adenosine PDB code: 5tdz(A).
		4. Ligand: ADN-GOL × 1 ADN=Adenosine, GOL=Glycerol. PDB code: 5tdm(A).

Cluster 5 contains 5 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 7 PDB codes: 3pff(A), 5tdf(A), 5tdm(A), 5tdz(A), 5tes(A), 6hxh(A), 6qfb(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5tde(A), 5tet(A).
		3. Ligand: ADP × 10 Adenosine-5'-Diphosphate PDB codes: 3pff(A), 5tdf(A), 5tdm(A), 5tdz(A), 5tes(A), 6hxh(A), 6o0h(A), 6qfb(A), 6uuw(A), 7liw(B).
		4. Ligand: 2HP × 1 Dihydrogenphosphate ion PDB code: 5tde(A).
		5. Ligand: PO4 × 1 Phosphate ion PDB code: 5tet(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5tdf(A), 5tet(A).
		2. Ligand: PGE × 1 Triethylene glycol PDB code: 5tdz(A).