Ligand clusters for UniProt code P34913

Ligand clusters for P34913: Bifunctional epoxide hydrolase 2 from Homo sapiens

		Top 6 (of 30) ligand clusters Cluster 1. 106 ligand types 173 ligands Cluster 2. 4 ligand types 46 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 5 ligand types 56 ligands Cluster 5. 3 ligand types 5 ligands Cluster 6. 3 ligand types 3 ligands
Representative protein: 4haiA

Structures

PDB		Schematic diagram
4haiA
4y2xA
5aiaA
3wk6A
5am4A
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Cluster 1 contains 106 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 17 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5ai0(A), 5ai4(A), 5ai5(A), 5ak3(A), 5ak5(A), 5akx(A), 5aky(A), 5alm(A), 5alo(A), 5alt(A), 5alu(A), 5alx(A), 5aly(A), 5am4(A), 5am5(A), 5fp0(A).
		2. Ligand: GOL × 4 glycerin Glycerol PDB codes: 5ahx(A), 5ai4(A), 5aki(A), 5akz(A).
		3. Ligand: FVS × 1 fulvestrant (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5- Pentafluoropentyl)sulfinyl]nonyl}estra- 1(10),2,4- Triene-3,17-Diol PDB code: 4j03(A).
		4. Ligand: NC7 × 1 7-{[(Cyclohexylamino)carbonyl]amino}heptanoic acid PDB code: 1zd5(A).
		5. Ligand: NC6 × 1 6-{[(Cyclohexylamino)carbonyl]amino}hexanoic acid PDB code: 1zd4(A).
		6. Ligand: NC3 × 1 N-[(Cyclohexylamino)carbonyl]glycine PDB code: 1zd2(P).
		7. Ligand: NC4 × 1 4-{[(Cyclohexylamino)carbonyl]amino}butanoic acid PDB code: 1zd3(A).
		8. Ligand: CIU × 1 N-Cyclohexyl-N'-(4-Iodophenyl)urea PDB code: 1vj5(A).
		9. Ligand: SO4 × 35 Sulfate ion PDB codes: 5ahx(A), 5ai6(A), 5ai8(A), 5aia(A), 5aib(A), 5aic(A), 5ak3(A), 5ake(A), 5akg(A), 5akh(A), 5aki(A), 5akj(A), 5akk(A), 5akz(A), 5ald(A), 5ale(A), 5ali(A), 5alj(A), 5alk(A), 5all(A), 5aln(A), 5alp(A), 5alq(A), 5alr(A), 5als(A), 5alv(A), 5alw(A), 5aly(A), 5alz(A), 5am0(A), 5am1(A), 5am2(A), 5am4(A).
		10. Ligand: KUF × 4 7-Methyl-2h-Isoquinolin-1-One PDB codes: 5am2(A),
		11. Ligand: GVG × 3 3-Methyl-4-Phenyl-1h-Pyrazole PDB codes: 5ak4(A),
		12. Ligand: YPN × 3 2-[(5-Chloro-2-Pyridyl)sulfanyl]ethanol PDB codes: 5ak6(A),
		13. Ligand: 1P8 × 2 6-Bromo-1,3-Dihydro-2h-Indol-2-One PDB codes: 5akk(A),
		14. Ligand: 4VY × 2 2-[(5-Bromo-2-Pyridyl)-Methyl-Amino]ethanol PDB codes: 5ai4(A),
		15. Ligand: 6NJ × 2 3-(2-Phenylethyl)-1h-Indazole PDB codes: 5aky(A),
		16. Ligand: 6NZ × 2 5-Cyclohexyl-3-Propyl-1h-Pyridin-2-One PDB codes: 5am5(A),
		17. Ligand: 6TZ × 2 3-(3-Fluorophenyl)-1h-Pyrazole PDB codes: 5alv(A),
		18. Ligand: AUB × 2 4-[(Trans-4-{[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1- Ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid PDB codes: 3wke(A), 5am3(A).
		19. Ligand: HD2 × 2 4-Cyclopentyl-N-[(1s,3r)-5-Oxidanyl-2-Adamantyl]-2- [[(3s)-Oxolan-3-Yl]amino]pyrimidine-5- Carboxamide PDB codes: 5alu(A),
		20. Ligand: 1LF × 1 1-[4-Methyl-6-(Methylamino)-1,3,5-Triazin-2-Yl]-N-[2- (Trifluoromethyl)benzyl]piperidine-4- Carboxamide PDB code: 4jnc(A).
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Cluster 2 contains 4 ligand types

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Ligand		Description
_Mg		1. Metal: _MG × 23 PDB codes: 1vj5(A), 1zd2(P), 1zd3(A), 1zd4(A), 1zd5(A), 3wk4(A), 3wk5(A), 3wk6(A), 3wk7(A), 3wk8(A), 3wk9(A), 3wka(A), 3wkb(A), 3wkc(A), 3wkd(A), 3wke(A), 4hai(A), 4j03(A), 4ocz(A), 4od0(A), 4y2x(A), 4y2y(A), 6aum(A).
		2. Ligand: PO4 × 21 Phosphate ion PDB codes: 1vj5(A), 1zd2(P), 1zd3(A), 1zd4(A), 1zd5(A), 3wk4(A), 3wk5(A), 3wk6(A), 3wk7(A), 3wk8(A), 3wk9(A), 3wka(A), 3wkb(A), 3wkc(A), 3wkd(A), 3wke(A), 4hai(A), 4j03(A), 4ocz(A), 4od0(A), 6aum(A).
		3. Ligand: 8S9 × 1 3-[4-(3,4-Dichlorophenyl)-5-Phenyl-1,3-Oxazol-2- Yl]benzoic acid PDB code: 5mwa(A).
		4. Ligand: HD2 × 1 4-Cyclopentyl-N-[(1s,3r)-5-Oxidanyl-2-Adamantyl]-2- [[(3s)-Oxolan-3-Yl]amino]pyrimidine-5- Carboxamide PDB code: 5alu(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: P6G × 2 Hexaethylene glycol PDB codes: 1s8o(A), 1vj5(A).
		2. Ligand: 15P × 1 Polyethylene glycol (n=34) PDB code: 1zd3(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: DMS × 32 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5ai0(A), 5ai4(A), 5ai5(A), 5ai6(A), 5aia(A), 5ak3(A), 5ak4(A), 5ak5(A), 5ake(A), 5akg(A), 5akh(A), 5aki(A), 5akj(A), 5akx(A), 5aky(A), 5ald(A), 5alh(A), 5alk(A), 5all(A), 5alm(A), 5aln(A), 5alo(A), 5alt(A), 5alu(A), 5alw(A), 5aly(A), 5am0(A), 5am1(A), 5am2(A), 5am4(A), 5am5(A).
		2. Ligand: GOL × 6 glycerin Glycerol PDB codes: 5ai6(A), 5ai9(A), 5ak6(A), 5ale(A), 5alj(A).
		3. Ligand: SO4 × 16 Sulfate ion PDB codes: 5ai8(A), 5ai9(A), 5aib(A), 5ak6(A), 5aki(A), 5akl(A), 5akz(A), 5ale(A), 5alg(A), 5ali(A), 5all(A), 5alp(A), 5alr(A), 5als(A), 5alz(A), 5am3(A).
		4. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5ai0(A).
_Cl		5. Metal: _CL × 1 PDB code: 6aum(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5am4(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 5ake(A).
		3. Ligand: PEG × 3 Di(hydroxyethyl)ether PDB codes: 5ak6(A), 5am3(A),

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5aki(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6i5g(A).
		3. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5am2(A).