Ligand clusters for UniProt code Q00955

Ligand clusters for Q00955: Acetyl-CoA carboxylase from Saccharomyces cerevisiae (strain ATCC 204508 / S288c)

		Top 6 (of 7) ligand clusters Cluster 1. 12 ligand types 12 ligands Cluster 2. 11 ligand types 12 ligands Cluster 3. 3 ligand types 3 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 2 ligand types 3 ligands Cluster 6. 1 ligand type 3 ligands
Representative protein: 5cslA

Structures

PDB		Schematic diagram
5cslA
1od2A
4wz8B
4wyoB
3pgqA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: ACO × 1 Acetyl coenzyme A PDB code: 1od2(A).
		2. Ligand: RCP × 1 (3r)-1'-(9-Anthrylcarbonyl)-3-(Morpholin-4- Ylcarbonyl)-1,4'-Bipiperidine PDB code: 1w2x(A).
		3. Ligand: D1L × 1 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid PDB code: 1uyr(A).
		4. Ligand: H1L × 1 (2r)-2-(4-{[3-Chloro-5-(Trifluoromethyl) pyridin-2-Yl]oxy}phenoxy)propanoic acid PDB code: 1uys(A).
		5. Ligand: 3W2 × 1 2'-Tert-Butyl-1-(2h-Indazol-5-Ylcarbonyl)-2'H- Spiro[piperidine-4,5'-Pyrano[3,2-C]pyrazol]-7'(6'H)- One PDB code: 4wyo(B).
		6. Ligand: 3W7 × 1 1'-(2h-Indazol-5-Ylcarbonyl)-1-(Propan-2-Yl)-1,4- Dihydrospiro[indazole-5,4'-Piperidin]-7(6h)-One PDB code: 4wz8(B).
		7. Ligand: 57L × 1 2,2-Dimethylpropyl (1s)-1-Methyl-8-[(7-Methyl-1h- Indazol-5-Yl)carbonyl]-2,8-Diazaspiro[4.5]decane- 2- Carboxylate PDB code: 5cte(B).
		8. Ligand: B36 × 1 6-{[1-(Anthracen-9-Ylcarbonyl)piperidin-4-Yl]methyl}-2- Methylquinoline PDB code: 3tz3(A).
		9. Ligand: B89 × 1 (5s)-2-[(1e)-N-{[(2e)-3-Chloroprop-2-En-1- Yl]oxy}propanimidoyl]-3-Hydroxy-5-(Tetrahydro-2h- Pyran-4-Yl)cyclohex-2-En-1-One PDB code: 3k8x(A).
		10. Ligand: BTI × 1 5-(Hexahydro-2-Oxo-1h-Thieno[3,4-D]imidazol-6-Yl) pentanal PDB code: 5csl(A).
		11. Ligand: COA × 1 Coenzyme a PDB code: 5csl(A).
		12. Ligand: GY3 × 1 8-(2-Ethenyl-6-Ethyl-4-Methylphenyl)tetrahydro-7h- Pyrazolo[1,2-D][1,4,5]oxadiazepine-7,9(8h)-Dione PDB code: 3pgq(A).

Cluster 2 contains 11 ligand types

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Ligand		Description
		1. Ligand: B37 × 2 4-({4-[(2-Methylquinolin-6-Yl)methyl]piperidin-1- Yl}carbonyl)-2-Phenylquinoline PDB codes: 3h0q(A), 3tvu(A).
		2. Ligand: 07H × 1 [4-(2h-Chromen-3-Ylmethyl)piperazin-1-Yl]-[3-(1h- Pyrazol-5-Yl)phenyl]methanone PDB code: 3tvw(A).
		3. Ligand: 3W2 × 1 2'-Tert-Butyl-1-(2h-Indazol-5-Ylcarbonyl)-2'H- Spiro[piperidine-4,5'-Pyrano[3,2-C]pyrazol]-7'(6'H)- One PDB code: 4wyo(B).
		4. Ligand: 3W7 × 1 1'-(2h-Indazol-5-Ylcarbonyl)-1-(Propan-2-Yl)-1,4- Dihydrospiro[indazole-5,4'-Piperidin]-7(6h)-One PDB code: 4wz8(B).
		5. Ligand: 57J × 1 6,7-Dimethyl-1'-[(7-Methyl-1h-Indazol-5-Yl) carbonyl]spiro[chromene-2,4'-Piperidin]-4(3h)-One PDB code: 5ctb(A).
		6. Ligand: 57K × 1 Tert-Butyl 7-[(7-Methyl-1h-Indazol-5-Yl)carbonyl]-2,7- Diazaspiro[3.5]nonane-2-Carboxylate PDB code: 5ctc(A).
		7. Ligand: 57L × 1 2,2-Dimethylpropyl (1s)-1-Methyl-8-[(7-Methyl-1h- Indazol-5-Yl)carbonyl]-2,8-Diazaspiro[4.5]decane- 2- Carboxylate PDB code: 5cte(B).
		8. Ligand: B36 × 1 6-{[1-(Anthracen-9-Ylcarbonyl)piperidin-4-Yl]methyl}-2- Methylquinoline PDB code: 3h0j(A).
		9. Ligand: B38 × 1 1'-(1h-Indazol-7-Ylcarbonyl)-6-Methylspiro[chromene-2, 4'-Piperidin]-4(3h)-One PDB code: 3h0s(A).
		10. Ligand: BTI × 1 5-(Hexahydro-2-Oxo-1h-Thieno[3,4-D]imidazol-6-Yl) pentanal PDB code: 5csl(A).
		11. Ligand: RCP × 1 (3r)-1'-(9-Anthrylcarbonyl)-3-(Morpholin-4-Ylcarbonyl)- 1,4'-Bipiperidine PDB code: 3tv5(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: ADE × 1 adenine Adenine PDB code: 1od2(A).
		2. Ligand: D1L × 1 2-[4-(2,4-Dichlorophenoxy)phenoxy]propanoic acid PDB code: 1uyr(A).
		3. Ligand: COA × 1 Coenzyme a PDB code: 5csl(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: S1A × 1 Soraphen a PDB code: 1w96(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
_Cl		1. Metal: _CL × 2 PDB codes: 5trc(A),
		2. Ligand: MLI × 1 Malonate ion PDB code: 5i6e(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 3h0s(A), 5ctb(A), 5ctc(A).