Ligand clusters for UniProt code Q8N884

Ligand clusters for Q8N884: Cyclic GMP-AMP synthase from Homo sapiens

		Top 6 (of 7) ligand clusters Cluster 1. 28 ligand types 35 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 4levA

Structures

PDB		Schematic diagram
4levA
6y5dK
6y5eK
7c0mK
6ct9A
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Cluster 1 contains 28 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
_Mg		1. Metal: _MG × 2 PDB codes: 6cta(A),
		2. Ligand: 1SY × 3 Cgamp PDB codes: 4o67(A), 5vdp(A), 6mjx(A).
		3. Ligand: EQL × 2 1,3-Bis(oxidanylidene)benzo[de]isoquinoline-6,7- Dicarboxylic acid PDB codes: 6lre(A),
		4. Ligand: EQR × 2 3-[5-(2-Hydroxy-2-Oxoethyl)-3-Oxidanylidene-[1,2, 4]triazino[2,3-A]benzimidazol-2-Yl]propanoic acid PDB codes: 6lri(A),
		5. Ligand: KHM × 2 (1r,2s)-2-[(7-Hydroxy-5-Phenylpyrazolo[1,5- A]pyrimidine-3-Carbonyl)amino]cyclohexane-1- Carboxylic acid PDB codes: 6lrc(B), 6nao(A).
		6. Ligand: SO4 × 2 Sulfate ion PDB codes: 4o69(A),
		7. Ligand: 1YC × 1 2-Amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6- Amino-9h-Purin-9-Yl)-3,11,17,18- Tetrahydroxy-3,11- Dioxido-2,4,7,10,12,15-Hexaoxa-3,11- Diphosphatricyclo[12.2.1.1~6,9~]octadec-8- Yl]-1,9- Dihydro-6h-Purin-6-One PDB code: 5vdo(A).
		8. Ligand: 4BW × 1 2-Amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9- (6-Amino-9h-Purin-9-Yl)-3,5,10,12- Tetrahydroxy-5,12- Dioxidooctahydro-2h,7h-Difuro[3,2-D:3',2'- J][1,3,7,9, 2,8]tetraoxadiphosphacyclododecin-2-Yl]-1,9-Dihydro- 6h-Purin-6-One PDB code: 5vdt(A).
		9. Ligand: 8ZJ × 1 4-Hydroxy-N-Methyl-2-Phenylpyrrolo[1,2-A]pyrimidine-8- Carboxamide PDB code: 5v8h(A).
		10. Ligand: 8ZM × 1 5-Phenyltetrazolo[1,5-A]pyrimidin-7-Ol PDB code: 5v8o(A).
		11. Ligand: 8ZP × 1 (1r,2s)-2-[(4-Hydroxy-2-Phenylpyrrolo[1,2-A]pyrimidine- 8-Carbonyl)amino]cyclohexane-1- Carboxylic acid PDB code: 5v8n(A).
		12. Ligand: 8ZS × 1 4-Hydroxy-N-[(2s)-1-Hydroxypropan-2-Yl]-2- Phenylpyrrolo[1,2-A]pyrimidine-8-Carboxamide PDB code: 5v8j(A).
		13. Ligand: 9B7 × 1 3',3'-Cdimp PDB code: 5vdr(A).
		14. Ligand: 9BG × 1 2',5'-Gpap PDB code: 5vdq(A).
		15. Ligand: 9BJ × 1 3',3'-Cdump PDB code: 5vds(A).
		16. Ligand: 9BS × 1 2-(Pyridin-2-Yl)pyrimidine PDB code: 5vdu(A).
		17. Ligand: 9BV × 1 Tetrazolo[5,1-B]quinazolin-9-Ol PDB code: 5vdv(A).
		18. Ligand: 9BY × 1 [2-(1,3-Thiazol-4-Yl)-1h-Benzimidazol-1-Yl]acetic acid PDB code: 5vdw(A).
		19. Ligand: AEV × 1 2-(4,5-Dichloro-1h-Benzimidazol-2-Yl)-5-Methyl-4-[(1r)- 3-Oxo-1,3-Dihydro-2-Benzofuran-1-Yl]-1,2- Dihydro-3h- Pyrazol-3-One PDB code: 6o47(A).
		20. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 6cta(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: CIT × 1 citric acid Citric acid PDB code: 6o47(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5vdp(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: CIT × 1 citric acid Citric acid PDB code: 6o47(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5vdp(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 4o69(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 5vdp(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: PTD × 2 Pentanedial PDB codes: 6y5d(K), 6y5e(K).