Ligand clusters for UniProt code P09211

Ligand clusters for P09211: Glutathione S-transferase P from Homo sapiens

		Top 6 (of 13) ligand clusters Cluster 1. 33 ligand types 79 ligands Cluster 2. 22 ligand types 57 ligands Cluster 3. 4 ligand types 8 ligands Cluster 4. 4 ligand types 60 ligands Cluster 5. 5 ligand types 14 ligands Cluster 6. 2 ligand types 5 ligands
Representative protein: 6ap9A

Structures

PDB		Schematic diagram
6ap9A
5dcgA
1pgtA
5dalA
5djlA
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Cluster 1 contains 33 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GSH × 27 glutathione Glutathione PDB codes: 13gs(A), 19gs(A), 1aqw(A), 1kbn(A), 1lbk(A), 1md3(A), 1md4(A), 1px6(A), 1px7(A), 3csh(A), 3csi(A), 3dd3(A), 3gus(A), 3hjo(A), 3ie3(A), 3km6(A), 3kmo(A), 5dal(A), 5ddl(A), 5djl(A), 5gss(A), 6ap9(A), 6gss(A), 6llx(A), 6y1e(A), 7gss(A), 8gss(A).
		2. Ligand: EAA × 6 etacrynic acid Ethacrynic acid PDB codes: 2gss(A), 3dgq(A), 3hjo(A), 3km6(A), 3kmo(A), 3n9j(A).
		3. Ligand: GDS × 1 glutathione disulfide Oxidized glutathione disulfide PDB code: 6ap9(A).
		4. Ligand: SAS × 1 sulfasalazine 2-Hydroxy-(5-([4-(2-Pyridinylamino)sulfonyl]phenyl) azo)benzoic acid PDB code: 13gs(A).
		5. Ligand: GSN × 2 2-Amino-5-[1-(Carboxylatomethylcarbamoyl)-2- Nitrososulfanyl-Ethyl]amino-5-Oxo-Pentanoate PDB codes: 2a2r(A), 2a2s(A).
		6. Ligand: GPR × 1 (9r,10r)-9-(S-Glutathionyl)-10-Hydroxy-9,10- Dihydrophenanthrene PDB code: 2pgt(A).
		7. Ligand: GTX × 5 S-Hexylglutathione PDB codes: 17gs(A), 1pgt(A), 2j9h(A), 4gss(A), 9gss(A).
		8. Ligand: GBX × 2 2-Amino-4-[1-(Carboxymethyl-Carbamoyl)-2-(9-Hydroxy-7, 8-Dioxo-7,8,9,10-Tetrahydro- Benzo[def]chrysen-10- Ylsulfanyl)-Ethylcarbamoyl]-Butyric acid PDB codes: 3pgt(A), 4pgt(A).
		9. Ligand: GDN × 1 Glutathione s-(2,4 dinitrobenzene) PDB code: 18gs(A).
		10. Ligand: BSP × 1 3,3'-(4,5,6,7-Tetrabromo-3-Oxo-1(3h)- Isobenzofuranylidene)bis [6- Hydroxybenzenesulfonic acid]anion PDB code: 19gs(A).
		11. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 3pgt(A).
		12. Ligand: SO4 × 1 Sulfate ion PDB code: 3pgt(A).
		13. Ligand: CBD × 1 Cibacron blue PDB code: 20gs(A).
		14. Ligand: CO3 × 3 Carbonate ion PDB codes: 3hjm(A), 3hkr(A), 3kmn(A).
_Pt		15. Metal: _PT × 3 PDB codes: 5djl(A), 5djm(A),
		16. Ligand: 5AU × 2 Di-Glutathione-Phenylarsine PDB codes: 5dal(A), 5ddl(A).
		17. Ligand: GSH-EAA × 2 GSH=Glutathione, EAA=Ethacrynic acid. PDB codes: 11gs(A), 3gss(A).
		18. Ligand: LZ6 × 2 L-Gamma-Glutamyl-S-(2-{[4-(3-Carboxypropyl)phenyl](2- Chloroethyl)amino}ethyl)-L-Cysteinylglycine PDB codes: 3csh(A), 3csi(A).
		19. Ligand: N11 × 2 6-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)sulfanyl]hexan-1- Ol PDB codes: 3gus(A), 3ie3(A).
_Ca		20. Metal: _CA × 2 PDB codes: 3hkr(A), 3n9j(A).
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Cluster 2 contains 22 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GSH × 26 glutathione Glutathione PDB codes: 13gs(A), 19gs(A), 1aqw(A), 1kbn(A), 1lbk(A), 1md3(A), 1md4(A), 1px6(A), 1px7(A), 3csh(A), 3csi(A), 3dd3(A), 3gus(A), 3hjo(A), 3ie3(A), 3km6(A), 3kmo(A), 5dal(A), 5djl(A), 5gss(A), 6ap9(A), 6gss(A), 6llx(A), 6y1e(A), 7gss(A), 8gss(A).
		2. Ligand: GDS × 1 glutathione disulfide Oxidized glutathione disulfide PDB code: 6ap9(A).
		3. Ligand: GSN × 2 2-Amino-5-[1-(Carboxylatomethylcarbamoyl)-2- Nitrososulfanyl-Ethyl]amino-5-Oxo-Pentanoate PDB codes: 2a2r(A), 2a2s(A).
		4. Ligand: GPR × 1 (9r,10r)-9-(S-Glutathionyl)-10-Hydroxy-9,10- Dihydrophenanthrene PDB code: 2pgt(A).
		5. Ligand: GTX × 5 S-Hexylglutathione PDB codes: 17gs(A), 1pgt(A), 2j9h(A), 4gss(A), 9gss(A).
		6. Ligand: GBX × 2 2-Amino-4-[1-(Carboxymethyl-Carbamoyl)-2-(9-Hydroxy-7, 8-Dioxo-7,8,9,10-Tetrahydro- Benzo[def]chrysen-10- Ylsulfanyl)-Ethylcarbamoyl]-Butyric acid PDB codes: 3pgt(A), 4pgt(A).
		7. Ligand: GDN × 1 Glutathione s-(2,4 dinitrobenzene) PDB code: 18gs(A).
		8. Ligand: SO4 × 1 Sulfate ion PDB code: 3pgt(A).
		9. Ligand: 5AU × 2 Di-Glutathione-Phenylarsine PDB codes: 5dal(A), 5ddl(A).
		10. Ligand: GSH-EAA × 2 GSH=Glutathione, EAA=Ethacrynic acid. PDB codes: 11gs(A), 3gss(A).
		11. Ligand: LZ6 × 2 L-Gamma-Glutamyl-S-(2-{[4-(3-Carboxypropyl)phenyl](2- Chloroethyl)amino}ethyl)-L-Cysteinylglycine PDB codes: 3csh(A), 3csi(A).
_Ca		12. Metal: _CA × 2 PDB codes: 3hkr(A), 3n9j(A).
		13. Ligand: 0HG × 1 N-[(4s)-4-Ammonio-4-Carboxybutanoyl]-S-(4-Bromobenzyl)- L-Cysteinylglycine PDB code: 1aqv(A).
		14. Ligand: 0HH × 1 L-Gamma-Glutamyl-S-Nonyl-L-Cysteinylglycine PDB code: 12gs(A).
		15. Ligand: 3LF-GSH × 1 3LF=3-(3,4,5-Trimethoxyphenyl)propanoic acid, GSH=Glutathione. PDB code: 5j41(A).
		16. Ligand: 6SG × 1 S-[N-(Ferrocenylmethyl)carbamoylmethyl]-Glutathione PDB code: 5l6x(A).
		17. Ligand: GF5 × 1 (2s)-2-Azanyl-5-[[(2r)-3-(2- Fluorosulfonylethylsulfanyl)-1-(2-Hydroxy-2- Oxoethylamino)-1- Oxidanylidene-Propan-2-Yl]amino]-5- Oxidanylidene-Pentanoic acid PDB code: 5x79(A).
		18. Ligand: GTD × 1 1-(S-Glutathionyl)-2,4,6-Trinitrocyclohexa-2,5-Diene PDB code: 1aqx(A).
		19. Ligand: GVX × 1 L-Gamma-Glutamyl-S-[(2-Phenylethyl)carbamothioyl]-L- Cysteinylglycine PDB code: 5jcw(A).
		20. Ligand: LEE × 1 L-Gamma-Glutamyl-S-Hexyl-L-Cysteinylglycine PDB code: 1gss(A).
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Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GSH × 1 glutathione Glutathione PDB code: 5jcw(A).
		2. Ligand: MES × 5 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 13gs(A), 17gs(A), 22gs(A), 2gss(A), 5gss(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 3pgt(A).
		4. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 6y1e(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: EPE × 2 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB codes: 1pgt(A), 2pgt(A).
		2. Ligand: MES × 52 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 10gs(A), 11gs(A), 12gs(A), 13gs(A), 14gs(A), 16gs(A), 17gs(A), 18gs(A), 19gs(A), 1aqv(A), 1aqw(A), 1aqx(A), 1kbn(A), 1lbk(A), 1md3(A), 1md4(A), 1px6(A), 1px7(A), 20gs(A), 22gs(A), 2a2r(A), 2a2s(A), 2gss(A), 3gss(A), 3pgt(A), 4gss(A), 4pgt(A), 5gss(A), 6gss(A), 7gss(A), 9gss(A), 3csh(A), 3csi(A), 3csj(A), 3dd3(A), 3dgq(A), 3gus(A), 3hjm(A), 3hkr(A), 3ie3(A), 3n9j(A), 5dak(A), 5dal(A), 5dcg(A), 5ddl(A), 5djl(A), 5djm(A), 5j41(A), 5x79(A), 6ap9(A), 6llx(A), 6y1e(A).
_Ca		3. Metal: _CA × 5 PDB codes: 3hjo(A), 3km6(A), 3kmo(A), 5jcw(A).
		4. Ligand: PO4 × 1 Phosphate ion PDB code: 5dcg(A).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 2pgt(A), 4pgt(A).
_Ca		2. Metal: _CA × 8 PDB codes: 3hjm(A), 3hjo(A), 3hkr(A), 3km6(A), 3kmn(A), 3kmo(A), 5jcw(A), 6ap9(A).
		3. Ligand: ACT × 2 Acetate ion PDB codes: 5jcw(A), 6ap9(A).
		4. Ligand: CO3 × 1 Carbonate ion PDB code: 3hjo(A).
		5. Ligand: O7Z × 1 2-[[6,7-Bis(chloranyl)-2-Cyclopentyl-2-Methyl-1- Oxidanylidene-3~{h}-Inden-5-Yl]oxy]ethanoic acid PDB code: 6y1e(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: MES × 3 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 1aqw(A), 1aqx(A), 6y1e(A).
_Ca		2. Metal: _CA × 2 PDB codes: 3hjo(A), 3kmn(A).