Ligand clusters for UniProt code P0A434

Ligand clusters for P0A434: Parathion hydrolase OS=Brevundimonas diminuta OX=293 GN=opd PE=1 SV=1

		Top 6 (of 33) ligand clusters Cluster 1. 25 ligand types 146 ligands Cluster 2. 6 ligand types 9 ligands Cluster 3. 4 ligand types 10 ligands Cluster 4. 4 ligand types 8 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 3 ligand types 6 ligands
Representative protein: 1qw7A

Structures

PDB		Schematic diagram
1qw7A
1dpmA
1eywA
1pscA
1ez2A
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Cluster 1 contains 25 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: TRS × 3 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB codes: 6ffw(A), 6frz(A), 6gbk(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 2oql(A), 6fvk(A).
_Mn		3. Metal: _MN × 2 PDB codes: 1i0b(A),
		4. Ligand: ACY × 1 acetic acid Acetic acid PDB code: 2o4m(A).
		5. Ligand: TEN × 1 Triethyl phosphate PDB code: 1eyw(A).
		6. Ligand: DII × 1 Methylphosphonic acid diisopropyl ester PDB code: 1ez2(A).
		7. Ligand: EBP × 1 Diethyl 4-Methylbenzylphosphonate PDB code: 1dpm(A).
		8. Ligand: EDO × 8 1,2-Ethanediol PDB codes: 1hzy(A), 1i0b(A), 1i0d(A), 1jgm(A),
_Zn		9. Metal: _ZN × 61 PDB codes: 1dpm(A), 1eyw(A), 1ez2(A), 1hzy(A), 1i0d(A), 2o4m(A), 2o4q(A), 2ob3(A), 2oql(A), 4e3t(A), 4gy0(A), 4gy1(A), 5w6b(A), 5wcq(A), 6aml(A), 6fev(A), 6ffw(A), 6fqe(A), 6frz(A), 6fs3(A), 6fu0(A), 6fu6(A), 6fvk(A), 6fw1(A), 6fwe(A), 6g1j(A), 6g23(A), 6gbj(A), 6gbk(A), 6gbl(A),
_Co		10. Metal: _CO × 26 PDB codes: 1qw7(A), 3cak(A), 3cs2(A), 3e3h(A), 3upm(A), 3ur2(A), 3ur5(A), 3ura(A), 3urb(A), 3urn(A), 3urq(A), 4zst(A), 4zsu(A),
		11. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 6gbj(A), 6gbl(A).
		12. Ligand: CAC × 8 Cacodylate ion PDB codes: 2o4m(A), 2o4q(A), 3cs2(A), 4gy1(A), 5w6b(A), 5wcq(A), 6aml(A), 6gbl(A).
		13. Ligand: IMD × 6 Imidazole PDB codes: 3ur2(A), 3ura(A), 3urn(A), 3urq(A), 6g1j(A).
_Cd		14. Metal: _CD × 5 PDB codes: 1i0d(A), 1jgm(A), 1psc(A),
		15. Ligand: DPF × 3 Diethyl hydrogen phosphate PDB codes: 3cak(A), 3ur5(A), 3urb(A).
		16. Ligand: D6K × 2 (4~{s},6~{r})-2,2,6-Trimethyl-1,3-Dioxan-4-Ol PDB codes: 6ffw(A), 6fqe(A).
		17. Ligand: E8W × 2 2-[Methoxy(methyl)phosphoryl]oxypropane PDB codes: 6fvk(A), 6fw1(A).
		18. Ligand: QMP × 2 Cyclohexyl methylphosphonate PDB codes: 3urn(A), 3urq(A).
		19. Ligand: 9ON × 1 (2~{s})-2-Methylpentanedioic acid PDB code: 6fs3(A).
		20. Ligand: E4T × 1 5-Methylcyclohexane-1,1,3,3-Tetrol PDB code: 6frz(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: EBP × 2 Diethyl 4-Methylbenzylphosphonate PDB codes: 1psc(A), 1qw7(A).
		2. Ligand: PEL × 1 2-Phenyl-Ethanol PDB code: 1eyw(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 1i0b(A).
		4. Ligand: EBP × 1 Diethyl 4-Methylbenzylphosphonate PDB code: 3e3h(A).
		5. Ligand: MPD × 3 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5w6b(A), 5wcq(A), 6aml(A).
		6. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6frz(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: EBP × 1 Diethyl 4-Methylbenzylphosphonate PDB code: 1dpm(A).
		2. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 1i0b(A), 1jgm(A),
		3. Ligand: BTB × 3 2-[Bis-(2-Hydroxy-Ethyl)-Amino]-2-Hydroxymethyl- Propane-1,3-Diol PDB codes: 2ob3(A), 2oql(A), 3cak(A).
		4. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 6aml(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 1i0b(A), 1i0d(A), 1jgm(A), 3ur2(A).
		2. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 5w6b(A), 5wcq(A).
		3. Ligand: P6G × 1 Hexaethylene glycol PDB code: 6frz(A).
		4. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6fqe(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: EBP × 1 Diethyl 4-Methylbenzylphosphonate PDB code: 1dpm(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 1jgm(A).

Cluster 6 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6fvk(A).
		2. Ligand: PEL × 4 2-Phenyl-Ethanol PDB codes: 1hzy(A), 1i0b(A), 1i0d(A), 1jgm(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 6g1j(A).