Ligand clusters for UniProt code O14965

Ligand clusters for O14965: Aurora kinase A from Homo sapiens

		Top 6 (of 36) ligand clusters Cluster 1. 109 ligand types 273 ligands Cluster 2. 37 ligand types 72 ligands Cluster 3. 11 ligand types 15 ligands Cluster 4. 7 ligand types 14 ligands Cluster 5. 5 ligand types 5 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 6vphA

Structures

PDB		Schematic diagram
6vphA
6vpgA
5os5A
5os4A
6r4aA
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Cluster 1 contains 109 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ADP × 3 Adenosine-5'-Diphosphate PDB codes: 1mq4(A), 1ol5(A), 1ol7(A).
		2. Ligand: ATP × 1 Adenosine-5'-Triphosphate PDB code: 1ol6(A).
_Mg		3. Metal: _MG × 83 PDB codes: 1mq4(A), 1ol5(A), 1ol7(A), 3r21(A), 4ceg(A), 4dee(A), 4dhf(A), 4utd(A), 5dn3(A), 5dnr(A), 5dos(A), 5dr2(A), 5drd(A), 5dt3(A), 5dt4(A), 5g15(A), 5g1x(A), 5lxm(A), 5obj(A), 5orl(A), 5orn(A), 5oro(A), 5orp(A), 5orr(A), 5ors(A), 5ort(A), 5orv(A), 5orw(A), 5orx(A), 5ory(A), 5orz(A), 5os0(A), 5os1(A), 5os2(A), 5os3(A), 5os4(A), 5os5(A), 5os6(A), 5osd(A), 5ose(A), 5osf(A), 6cpf(A), 6i2u(A), 6r49(A), 6r4a(A), 6r4b(A), 6r4c(A), 6r4d(A),
		4. Ligand: ADN × 4 adenosine Adenosine PDB codes: 1muo(A), 4o0s(A), 4o0u(A), 4o0w(A).
		5. Ligand: GOL × 4 glycerin Glycerol PDB codes: 5odt(A), 6vpg(A), 6vph(A),
		6. Ligand: ANP × 2 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 2c6d(A), 2dwb(A).
		7. Ligand: 626 × 1 4-(4-Methylpiperazin-1-Yl)-N-[5-(2-Thienylacetyl)-1,5- Dihydropyrrolo[3,4-C]pyrazol-3-Yl]benzamide PDB code: 2j4z(A).
		8. Ligand: MPY × 1 (3e)-N-(2,6-Diethylphenyl)-3-{[4-(4-Methylpiperazin-1- Yl)benzoyl]imino}pyrrolo[3,4-C]pyrazole- 5(3h)- Carboxamide PDB code: 2bmc(A).
		9. Ligand: HPM × 1 N-{5-[(7-{[(2s)-2-Hydroxy-3-Piperidin-1- Ylpropyl]oxy}-6-Methoxyquinazolin-4-Yl)amino] pyrimidin- 2-Yl}benzamide PDB code: 2c6e(A).
		10. Ligand: ADP × 37 Adenosine-5'-Diphosphate PDB codes: 2wqe(A), 4bn1(A), 4ceg(A), 4dee(A), 5g1x(A), 5l8j(A), 5l8k(A), 5l8l(A), 5lxm(A), 5odt(A), 5orl(A), 5orn(A), 5oro(A), 5orp(A), 5orr(A), 5ors(A), 5ort(A), 5orv(A), 5orw(A), 5orx(A), 5ory(A), 5orz(A), 5os0(A), 5os1(A), 5os2(A), 5os3(A), 5os4(A), 5os5(A), 5os6(A), 5osd(A), 5ose(A), 5osf(A), 6r49(A), 6r4a(A), 6r4b(A), 6r4c(A), 6r4d(A).
		11. Ligand: ATP × 8 Adenosine-5'-Triphosphate PDB codes: 5dn3(A), 5dnr(A), 5dos(A), 5dr2(A), 5drd(A), 5dt3(A), 5dt4(A), 5obj(A).
		12. Ligand: ANP × 5 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 6vpg(A), 6vph(A), 6vpi(A), 6vpj(A), 6vpl(A).
		13. Ligand: SO4 × 7 Sulfate ion PDB codes: 1ol5(A), 2j50(A), 2x6d(A), 3efw(A), 3h0y(A), 4b0g(A), 5odt(A).
		14. Ligand: ACP × 6 Phosphomethylphosphonic acid adenylate ester PDB codes: 4c3p(A), 4c3r(A), 4utd(A), 5g15(A), 6c83(A), 6cpf(A).
		15. Ligand: SKE × 5 4-({5-Amino-1-[(2,6-Difluorophenyl)carbonyl]-1h-1,2,4- Triazol-3-Yl}amino)benzenesulfonamide PDB codes: 5dpv(A), 5dr6(A), 5dr9(A), 5dt0(A), 5obr(A).
		16. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 3up2(A), 6z4y(A),
		17. Ligand: ZZL × 3 4-{[9-Chloro-7-(2,6-Difluorophenyl)-5h- Pyrimido[5,4-D][2]benzazepin-2-Yl]amino}benzoic acid PDB codes: 2wtv(A), 2wtw(A), 2x81(A).
		18. Ligand: 97B × 2 9-Chloro-7-(2,6-Difluorophenyl)-N-{4-[(4- Methylpiperazin-1-Yl)carbonyl]phenyl}-5h-Pyrimido[5,4- D][2]benzazepin-2-Amine PDB codes: 3h10(A),
		19. Ligand: ACT × 2 Acetate ion PDB codes: 2wtv(A), 6hjj(A).
		20. Ligand: P9J × 2 4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin- 1(2h)-One PDB codes: 3p9j(A), 3w16(A).
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Cluster 2 contains 37 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: 4ceg(A), 6r4a(A), 6vpl(A).
		2. Ligand: CIT × 1 citric acid Citric acid PDB code: 6z4y(A).
		3. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4j8m(A).
_Mg		4. Metal: _MG × 1 PDB code: 5obj(A).
		5. Ligand: PO4 × 1 Phosphate ion PDB code: 1mq4(A).
_Cl		6. Metal: _CL × 16 PDB codes: 4ceg(A), 5orv(A), 5ory(A), 5orz(A), 5os1(A), 5osd(A), 6r4a(A), 6r4b(A), 6r4c(A), 6r4d(A).
		7. Ligand: SO4 × 12 Sulfate ion PDB codes: 1ol5(A), 2dwb(A), 2np8(A), 3h0y(A), 4c3p(A), 5dn3(A), 5dnr(A), 5dt3(A), 5g15(A), 5l8l(A), 5obj(A).
		8. Ligand: 5DN × 4 2-(3-Bromophenyl)-8-Fluoroquinoline-4-Carboxylic acid PDB codes: 5dn3(A), 5dos(A), 5dpv(A), 5dt4(A).
		9. Ligand: 5E1 × 2 2-(3-Bromophenyl)quinoline-4-Carboxylic acid PDB codes: 5dr2(A), 5dr6(A).
		10. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4j8m(A), 5l8k(A).
		11. Ligand: R74 × 2 N~2~-[(2h-1,3-Benzodioxol-5-Yl)acetyl]-N-[(Pyridin-4- Yl)methyl]-L-Cysteinamide PDB codes: 6vpm(A),
		12. Ligand: R7D × 2 N~2~-{(2r)-2-Hydroxy-2-[4-(Trifluoromethyl) phenyl]acetyl}-N-[(Pyridin-2-Yl)methyl]-L-Cysteinamide PDB codes: 6vpl(A),
		13. Ligand: 5E2 × 1 2-(3-Bromophenyl)-6-Chloroquinoline-4-Carboxylic acid PDB code: 5dr9(A).
		14. Ligand: 9QK × 1 2-(3-Fluorophenyl)quinoline-4-Carboxylic acid PDB code: 5obj(A).
		15. Ligand: 9QT × 1 2-(3-Chloranyl-5-Fluoranyl-Phenyl)quinoline-4- Carboxylic acid PDB code: 5obr(A).
		16. Ligand: A5Q × 1 4-[4-(Trifluoromethyl)phenyl]-1,2,3-Thiadiazol-5-Amine PDB code: 5orr(A).
		17. Ligand: A5W × 1 Cyclobutyl-[4-(2-Methoxyphenyl)piperidin-1-Yl]methanone PDB code: 5ors(A).
		18. Ligand: A5Z × 1 [3-[2,6-Bis(chloranyl)phenyl]-5-Methyl-1,2-Oxazol-4- Yl]methanol PDB code: 5ort(A).
		19. Ligand: A65 × 1 [3,5-Bis(methylsulfanyl)-1,2-Thiazol-4-Yl]methanol PDB code: 5orv(A).
		20. Ligand: A6E × 1 3-(4-Fluoranylphenoxy)-1-Thiomorpholin-4-Yl-Propan-1- One PDB code: 5orw(A).
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Cluster 3 contains 11 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4j8m(A).
		2. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 3up2(A), 4dea(A), 4deb(A), 4ded(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 5odt(A), 5os4(A).
		4. Ligand: A5E × 1 3-Thiophen-2-Yl-4,5-Dihydro-1~{h}-Pyridazin-6-One PDB code: 5orn(A).
		5. Ligand: A5H × 1 3-(4-Chlorophenyl)-5,6-Dihydroimidazo[2,1-B][1, 3]thiazole PDB code: 5oro(A).
		6. Ligand: A5K × 1 1-[3-Chloranyl-5-(Trifluoromethyl)pyridin-2-Yl]-1,4- Diazepane PDB code: 5orp(A).
		7. Ligand: A98 × 1 Methyl ~{n}-(5-Ethylsulfanyl-1,3,4-Thiadiazol-2-Yl) carbamate PDB code: 5ose(A).
		8. Ligand: A9B × 1 5-(4-Chlorophenyl)furan-2-Carbohydrazide PDB code: 5osd(A).
		9. Ligand: A9E × 1 2-(4-Ethylphenoxy)-1-Piperidin-1-Yl-Ethanone PDB code: 5osf(A).
		10. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2wqe(A).
		11. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 3uod(A).

Cluster 4 contains 7 ligand types

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Ligand		Description
		1. Ligand: CIT × 1 citric acid Citric acid PDB code: 6z4y(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 5odt(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 2c6d(A).
		4. Ligand: SO4 × 7 Sulfate ion PDB codes: 2x6d(A), 3h0y(A), 5aad(A), 5l8l(A), 6hjk(A).
		5. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4ded(A), 5l8k(A).
		6. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2wqe(A).
		7. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4ztq(A).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3uol(A).
		2. Ligand: P4G × 1 1-Ethoxy-2-(2-Ethoxyethoxy)ethane PDB code: 6cpe(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6i2u(A).
		4. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 3myg(A).
		5. Ligand: PGF × 1 2,5,8,11-Tetraoxatridecane PDB code: 6hjj(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: 626 × 1 4-(4-Methylpiperazin-1-Yl)-N-[5-(2-Thienylacetyl)-1,5- Dihydropyrrolo[3,4-C]pyrazol-3-Yl]benzamide PDB code: 2j4z(A).