Ligand clusters for UniProt code P08263

Ligand clusters for P08263: Glutathione S-transferase A1 from Homo sapiens

		Top 6 (of 11) ligand clusters Cluster 1. 17 ligand types 35 ligands Cluster 2. 11 ligand types 24 ligands Cluster 3. 5 ligand types 9 ligands Cluster 4. 2 ligand types 4 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 3 ligands
Representative protein: 1gseA

Structures

PDB		Schematic diagram
1gseA
5jcuA
1ydkA
2r6kA
5lczB
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: GSH × 6 glutathione Glutathione PDB codes: 1gse(A), 1pkw(A), 1usb(A), 3i6a(A), 5lcz(A), 6ato(A).
		2. Ligand: EAA × 2 etacrynic acid Ethacrynic acid PDB codes: 1gse(A), 1gsf(A).
		3. Ligand: GOL × 2 glycerin Glycerol PDB codes: 1k3y(A), 6yaw(A).
		4. Ligand: GSB × 1 S-Benzyl-Glutathione PDB code: 1guh(A).
		5. Ligand: GTX × 4 S-Hexylglutathione PDB codes: 1k3l(A), 1k3y(A), 1ydk(A),
		6. Ligand: ABY × 2 N-(4-Aminobutanoyl)-S-(4-Methoxybenzyl)-L- Cysteinylglycine PDB codes: 1pl1(A), 1pl2(A).
		7. Ligand: GTX × 4 S-Hexylglutathione PDB codes: 2r3x(A), 2r6k(A), 3ktl(A), 3l0h(A).
		8. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 5jcu(A), 6atr(A),
		9. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 6ato(A), 6atq(A).
_Cl		10. Metal: _CL × 2 PDB codes: 1pl1(A), 1pl2(A).
		11. Ligand: BOB × 1 (S)-2-Amino-5-((R)-1-(Carboxymethylamino)-3-((3s,4r)-1, 4-Dihydroxynonan-3-Ylthio)-1-Oxopropan-2- Ylamino)-5- Oxopentanoic acid PDB code: 3ik9(A).
		12. Ligand: BWS × 1 L-Gamma-Glutamyl-L-Alanylglycine PDB code: 6atr(A).
		13. Ligand: GSN × 1 2-Amino-5-[1-(Carboxylatomethylcarbamoyl)-2- Nitrososulfanyl-Ethyl]amino-5-Oxo-Pentanoate PDB code: 6atr(A).
		14. Ligand: GVX × 1 L-Gamma-Glutamyl-S-[(2-Phenylethyl)carbamothioyl]-L- Cysteinylglycine PDB code: 5jcu(A).
		15. Ligand: LZ6 × 1 L-Gamma-Glutamyl-S-(2-{[4-(3-Carboxypropyl)phenyl](2- Chloroethyl)amino}ethyl)-L-Cysteinylglycine PDB code: 4hj2(A).
		16. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 6atq(A).
		17. Ligand: P9H × 1 (2~{s})-2-Azanyl-5-[[(2~{r})-1-(2-Hydroxy-2- Oxoethylamino)-1-Oxidanylidene-3-[(1~{r})-3- Oxidanylidene-1-Phenyl-Propyl]sulfanyl-Propan-2- Yl]amino]-5-Oxidanylidene-Pentanoic acid PDB code: 6yaw(A).

Cluster 2 contains 11 ligand types

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Ligand		Description
		1. Ligand: GSH × 7 glutathione Glutathione PDB codes: 1gse(A), 1pkw(A), 1usb(A), 3i69(A), 3i6a(A), 5lcz(B), 6ato(A).
		2. Ligand: GSB × 1 S-Benzyl-Glutathione PDB code: 1guh(A).
		3. Ligand: GTX × 4 S-Hexylglutathione PDB codes: 1k3l(A), 1k3y(A), 1ydk(A),
		4. Ligand: ABY × 2 N-(4-Aminobutanoyl)-S-(4-Methoxybenzyl)-L- Cysteinylglycine PDB codes: 1pl1(A), 1pl2(A).
		5. Ligand: GTX × 4 S-Hexylglutathione PDB codes: 2r3x(A), 2r6k(A), 3ktl(A), 3l0h(A).
		6. Ligand: BOB × 1 (S)-2-Amino-5-((R)-1-(Carboxymethylamino)-3-((3s,4r)-1, 4-Dihydroxynonan-3-Ylthio)-1-Oxopropan-2- Ylamino)-5- Oxopentanoic acid PDB code: 3ik9(A).
		7. Ligand: BWS-GSN × 1 BWS=L-Gamma-Glutamyl-L-Alanylglycine, GSN=2-Amino-5-[1-(Carboxylatomethylcarbamoyl)-2- Nitrososulfanyl-Ethyl]amino-5-Oxo-Pentanoate. PDB code: 6atr(A).
		8. Ligand: GVX × 1 L-Gamma-Glutamyl-S-[(2-Phenylethyl)carbamothioyl]-L- Cysteinylglycine PDB code: 5jcu(A).
		9. Ligand: LZ6 × 1 L-Gamma-Glutamyl-S-(2-{[4-(3-Carboxypropyl)phenyl](2- Chloroethyl)amino}ethyl)-L-Cysteinylglycine PDB code: 4hj2(A).
		10. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 6atq(A).
		11. Ligand: P9H × 1 (2~{s})-2-Azanyl-5-[[(2~{r})-1-(2-Hydroxy-2- Oxoethylamino)-1-Oxidanylidene-3-[(1~{r})-3- Oxidanylidene-1-Phenyl-Propyl]sulfanyl-Propan-2- Yl]amino]-5-Oxidanylidene-Pentanoic acid PDB code: 6yaw(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1k3y(A).
		2. Ligand: HED × 2 2-Hydroxyethyl disulfide PDB codes: 1pkw(A), 1pkz(A).
		3. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 5jcu(A), 6atr(A),
		4. Ligand: BME-BME × 1 BME=Beta-Mercaptoethanol. PDB code: 1gse(A).
_Cl		5. Metal: _CL × 1 PDB code: 1usb(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: MPD × 3 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 6ato(A), 6atp(A), 6atq(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6atr(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 6ato(A), 6atp(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: MPD × 3 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 6ato(A), 6atp(A), 6atq(A).