Ligand clusters for UniProt code O74036

Ligand clusters for O74036: DNA repair and recombination protein RadA from Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1)

		Top 6 (of 27) ligand clusters Cluster 1. 27 ligand types 34 ligands Cluster 2. 11 ligand types 47 ligands Cluster 3. 3 ligand types 3 ligands Cluster 4. 3 ligand types 3 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 1pznA

Structures

PDB		Schematic diagram
1pznA
5kddA
5j4hA
4b3cA
6tw9A
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Cluster 1 contains 27 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4b2p(A), 6tv3(A), 6tw9(A).
		2. Ligand: 5MI × 2 5-Methyl indole PDB codes: 4b3d(A),
		3. Ligand: IMD × 2 Imidazole PDB codes: 1pzn(A),
		4. Ligand: NY5 × 2 5,6,7,8-Tetrahydronaphthalene-2-Carboxylic acid PDB codes: 6tuu(A),
		5. Ligand: NZW × 2 ~{N}-[2-[(2~{s})-2-[[(1~{s})-1-(4-Methoxyphenyl) ethyl]carbamoyl]pyrrolidin-1-Yl]-2-Oxidanylidene- Ethyl]quinoline-2-Carboxamide PDB codes: 6tw4(A), 6xtw(A).
		6. Ligand: O1E × 2 5-Ethyl-N-(1h-Indol-5-Ylmethyl)-1,3,4-Thiadiazol-2- Amine PDB codes: 6xuf(A), 6xuj(A).
		7. Ligand: 03V × 1 Naphthalen-2-Ol PDB code: 4b32(A).
		8. Ligand: 1F1 × 1 1h-Indole-6-Carboxylic acid PDB code: 5j4h(A).
		9. Ligand: 1NP × 1 1-Naphthol PDB code: 4b33(A).
		10. Ligand: 4ME × 1 Methyl 1h-Indole-4-Carboxylate PDB code: 4b35(A).
		11. Ligand: 5H1 × 1 1h-Indol-5-Ol PDB code: 4b3c(A).
		12. Ligand: 6FZ × 1 2,3-Dihydro-1h-Indene-2-Carboxylic acid PDB code: 5j4k(A).
		13. Ligand: ABV × 1 1,3-Benzothiazol-2-Amine PDB code: 4b34(A).
		14. Ligand: ACE-PHE-ALA-THR-ALA-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 5fpk(A).
		15. Ligand: ACE-PHE-HIS-ALA-ALA-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 5fox(A).
		16. Ligand: ACE-PHE-HIS-PRO-ALA-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 5fou(A).
		17. Ligand: ACE-PHE-HIS-THR-ABA-NH2 × 1 ACE=Acetyl group, ABA=Alpha-Aminobutyric acid, NH2=Amino group. PDB code: 5fot(A).
		18. Ligand: ACE-PHE-HIS-THR-ALA-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 4b3b(A).
		19. Ligand: ACE-PHE-HIS-THR-GLY-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 5fov(A).
		20. Ligand: ACE-TRP-HIS-THR-ALA-NH2 × 1 ACE=Acetyl group, NH2=Amino group. PDB code: 5fow(A).
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Cluster 2 contains 11 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 4 PDB codes: 4a6x(A), 4b2p(A), 4d6p(A), 4uqo(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 4b2p(A).
		3. Ligand: PO4 × 24 Phosphate ion PDB codes: 4a6p(A), 4b2i(A), 4b2l(A), 4b32(A), 4b33(A), 4b34(A), 4b35(A), 4b3b(A), 4b3c(A), 4b3d(A), 5fos(A), 5fot(A), 5fou(A), 5fov(A), 5fow(A), 5fox(A), 5fpk(A), 5l8v(A), 6tuu(A), 6tv3(A), 6tw3(A), 6txy(A), 6xuf(A), 6xuj(A).
		4. Ligand: SO4 × 6 Sulfate ion PDB codes: 1pzn(A), 5jec(A), 5jed(A), 5kdd(A), 6xtw(A).
_Ca		5. Metal: _CA × 5 PDB codes: 5j4h(A), 5j4k(A), 5jee(A), 5jfg(A), 5lbi(A).
		6. Ligand: IMD × 2 Imidazole PDB codes: 1pzn(A),
		7. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 4uqo(A).
		8. Ligand: ANP × 1 Phosphoaminophosphonic acid-Adenylate ester PDB code: 4d6p(A).
		9. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 4a6x(A).
		10. Ligand: GTP × 1 Guanosine-5'-Triphosphate PDB code: 4b2p(A).
_Cl		11. Metal: _CL × 1 PDB code: 5j4l(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5jfg(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 5fos(A).
		3. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 5jed(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5j4h(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 5j4k(A).
		3. Ligand: IMD × 1 Imidazole PDB code: 1pzn(B).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 1pzn(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5kdd(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 5jed(A).
		2. Ligand: PO4 × 1 Phosphate ion PDB code: 5fou(A).