Ligand clusters for UniProt code P14618

Ligand clusters for P14618: Pyruvate kinase PKM from Homo sapiens

		Top 6 (of 23) ligand clusters Cluster 1. 17 ligand types 24 ligands Cluster 2. 14 ligand types 72 ligands Cluster 3. 11 ligand types 37 ligands Cluster 4. 6 ligand types 54 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 3 ligand types 6 ligands
Representative protein: 6b6uA

Structures

PDB		Schematic diagram
6b6uA
6v75C
4wj8A
3srdA
6nubA
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 6v74(A), 6v75(C).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6tti(A).
		3. Ligand: 7XX × 2 4-[2,3-Bis(chloranyl)phenyl]carbonyl-1-Methyl-Pyrrole- 2-Carboxamide PDB codes: 5x1v(A),
		4. Ligand: LZ2 × 2 5-Hydroxynaphthalene-1-Sulfonamide PDB codes: 6ttf(A),
		5. Ligand: NXE × 2 ~{N}-[3-(Trifluoromethyl)-1,2-Oxazol-5-Yl]ethanamide PDB codes: 6tti(A),
		6. Ligand: NXH × 2 1-Propan-2-Yl-3-Pyridin-4-Yl-Urea PDB codes: 6ttq(A),
		7. Ligand: PG4 × 2 Tetraethylene glycol PDB codes: 6b6u(A), 6nub(A).
		8. Ligand: 07T × 1 6-(3-Aminobenzyl)-4-Methyl-2-Methylsulfinyl-4,6- Dihydro-5h-Thieno[2',3':4,5]pyrrolo[2,3- D]pyridazin-5- One PDB code: 3u2z(A).
		9. Ligand: 144 × 1 Tris-Hydroxymethyl-Methyl-Ammonium PDB code: 6v74(D).
		10. Ligand: 1OX × 1 2-(1h-Benzimidazol-1-Ylmethyl)-4h-Pyrido[1,2- A]pyrimidin-4-One PDB code: 4jpg(A).
		11. Ligand: 3SZ × 1 3-{[4-(2,3-Dihydro-1,4-Benzodioxin-6-Ylsulfonyl)-1,4- Diazepan-1-Yl]sulfonyl}aniline PDB code: 3me3(A).
		12. Ligand: 7Y0 × 1 4-[2,3-Bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3- Bis(chloranyl)phenyl]carbonyl-1-Methyl-Pyrrol- 2- Yl]carbonylamino]ethyl]-1-Methyl-Pyrrole-2-Carboxamide PDB code: 5x1w(A).
		13. Ligand: D8G × 1 6-(2-Fluorobenzyl)-2,4-Dimethyl-4,6-Dihydro-5h- Thieno[2',3':4,5]pyrrolo[2,3-D]pyridazin-5-One PDB code: 3h6o(A).
		14. Ligand: DYY × 1 1-[(2,6-Difluorophenyl)sulfonyl]-4-(2,3-Dihydro-1,4- Benzodioxin-6-Ylsulfonyl)piperazine PDB code: 3gr4(A).
		15. Ligand: DZG × 1 1-(2,3-Dihydro-1,4-Benzodioxin-6-Ylsulfonyl)-4-[(4- Methoxyphenyl)sulfonyl]piperazine PDB code: 3gqy(A).
		16. Ligand: NO3 × 1 Nitrate ion PDB code: 6wp3(B).
		17. Ligand: NZT × 1 N-(4-{[4-(Pyrazin-2-Yl)piperazin-1-Yl]carbonyl}phenyl) quinoline-8-Sulfonamide PDB code: 4g1n(A).

Cluster 2 contains 14 ligand types

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Ligand		Description
		1. Ligand: GOL × 12 glycerin Glycerol PDB codes: 1t5a(A), 6v74(A), 6v75(C), 6v76(C), 6wp3(A), 6wp4(A), 6wp5(B).
__K		2. Metal: __K × 11 PDB codes: 3srf(C), 4qg8(A), 4qgc(A), 6b6u(A), 6gg4(A), 6gg5(A), 6gg6(A), 6nu5(A), 6nub(A).
_Mg		3. Metal: _MG × 9 PDB codes: 3srf(C), 4g1n(A), 4qg8(A), 4qg9(A), 6b6u(A), 6gg6(A), 6nu5(A), 6nub(A).
		4. Ligand: PYR × 3 pyruvic acid Pyruvic acid PDB codes: 3srf(C), 4yj5(A), 5x0i(A).
		5. Ligand: OXL × 1 Oxalate ion PDB code: 1t5a(A).
		6. Ligand: PO4 × 1 Phosphate ion PDB code: 1t5a(A).
		7. Ligand: OXL × 21 Oxalate ion PDB codes: 3bjf(A), 3bjt(A), 3srd(A), 4fxf(A), 4g1n(A), 6b6u(A), 6nu1(A), 6nu5(A), 6nub(A), 6v74(A), 6v75(C), 6v76(C), 6wp3(A), 6wp4(A), 6wp5(B), 6wp6(C).
		8. Ligand: PO4 × 5 Phosphate ion PDB codes: 4fxj(A), 4wj8(A), 6gg4(A), 6gg5(A).
		9. Ligand: B3P × 3 2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)- Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 6b6u(A), 6nu5(A), 6nub(A).
		10. Ligand: TLA × 2 L(+)-Tartaric acid PDB codes: 3gqy(A), 3gr4(A).
		11. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 3gr4(A).
		12. Ligand: MLI × 1 Malonate ion PDB code: 4qg8(A).
		13. Ligand: OXD × 1 Oxalic acid PDB code: 4wj8(A).
		14. Ligand: SO4 × 1 Sulfate ion PDB code: 4qgc(A).

Cluster 3 contains 11 ligand types

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Ligand		Description
		1. Ligand: GOL × 12 glycerin Glycerol PDB codes: 1t5a(A), 3srd(A), 3srf(C), 4qg8(A), 4qgc(A), 4wj8(A), 6v76(C), 6wp3(A), 6wp4(A), 6wp5(B), 6wp6(C).
		2. Ligand: CYS × 4 cysteine PDB codes: 6nu1(A), 6nu5(A).
		3. Ligand: PHE × 4 phenylalanine PDB codes: 4fxj(A), 6gg4(A),
		4. Ligand: ASP × 1 aspartic acid PDB code: 6v75(C).
		5. Ligand: VAL × 1 valine PDB code: 6v76(C).
		6. Ligand: SER × 6 PDB codes: 4b2d(A), 4yj5(A), 5x0i(A), 6gg6(A), 6jfb(A), 6nub(A).
		7. Ligand: ALA × 3 PDB codes: 6gg3(E),
		8. Ligand: PRO × 2 PDB codes: 4qg6(A),
		9. Ligand: TRP × 2 PDB codes: 6gg5(A),
		10. Ligand: THR × 1 PDB code: 6tth(A).
_Cl		11. Metal: _CL × 1 PDB code: 6b6u(A).

Cluster 4 contains 6 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6wp3(B), 6wp5(D).
		2. Ligand: FBP × 31 1,6-Di-O-Phosphono-Beta-D-Fructofuranose PDB codes: 1t5a(A), 3bjf(A), 3gqy(A), 3gr4(A), 3h6o(A), 3me3(A), 3srd(A), 3u2z(A), 4b2d(A), 4fxf(A), 4jpg(A), 4rpp(A), 4wj8(A), 5x0i(A), 5x1v(A), 5x1w(A), 6nu1(A), 6ttf(A), 6tth(A), 6tti(A), 6ttq(A), 6v74(A), 6v75(C), 6v76(C), 6wp5(B),
		3. Ligand: PO4 × 14 Phosphate ion PDB codes: 3srf(C), 3srh(A), 4fxj(A), 6gg3(A), 6gg4(A), 6gg5(A), 6gg6(A), 6jfb(A), 6wp4(A).
		4. Ligand: SO4 × 4 Sulfate ion PDB codes: 3g2g(A), 4qgc(A),
		5. Ligand: ACT × 2 Acetate ion PDB codes: 4qg9(A),
		6. Ligand: NO3 × 1 Nitrate ion PDB code: 6wp6(C).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: B3P × 2 2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)- Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 6nu5(A), 6nub(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1t5a(A).
		2. Ligand: PO4 × 3 Phosphate ion PDB codes: 6gg4(A), 6gg5(A), 6wp4(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 3g2g(B), 3me3(A).