Ligand clusters for UniProt code P00327

Ligand clusters for P00327: Alcohol dehydrogenase E chain from Equus caballus

		Top 6 (of 25) ligand clusters Cluster 1. 40 ligand types 182 ligands Cluster 2. 13 ligand types 39 ligands Cluster 3. 3 ligand types 25 ligands Cluster 4. 2 ligand types 23 ligands Cluster 5. 2 ligand types 16 ligands Cluster 6. 2 ligand types 6 ligands
Representative protein: 1a71A

Structures

PDB		Schematic diagram
1a71A
2jhfA
1heuA
2ohxA
1hetA
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Cluster 1 contains 40 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: NAD × 22 Nicotinamide-Adenine-Dinucleotide PDB codes: 1a71(A), 1axe(A), 1axg(A), 1bto(A), 1het(A), 1heu(A), 1hf3(A), 1hld(A), 1ju9(A), 1lde(A), 1ldy(A), 1mg0(A), 1mgo(A), 1qlh(A), 1qv6(A), 1qv7(A), 2jhf(A), 2jhg(A), 2ohx(A), 2oxi(A), 3bto(A), 6adh(A).
_Zn		2. Metal: _ZN × 64 PDB codes: 1a71(A), 1a72(A), 1adb(A), 1adc(A), 1adf(A), 1adg(A), 1axe(A), 1axg(A), 1bto(A), 1het(A), 1hld(A), 1ju9(A), 1lde(A), 1ldy(A), 1mg0(A), 1mgo(A), 1n8k(A), 1n92(A), 1p1r(A), 1qlh(A), 1qlj(A), 1qv6(A), 1qv7(A), 1ye3(A), 2jhg(A), 2ohx(A), 3bto(A), 3oq6(A), 4dwv(A), 4dxh(A), 4nfh(A), 4nfs(A), 4ng5(A), 4xd2(A), 5adh(A), 5cdg(A), 5cds(A), 5cdt(A), 5cdu(A), 5kcp(A), 5kcz(A), 5kj1(A), 5kj6(A), 5kjc(A), 5kje(A), 5kjf(A), 5vj5(A), 5vjg(A), 5vkr(A), 5vl0(A), 5vn1(A), 6adh(A), 6cxx(A), 6cy3(A), 6nbb(A), 6o91(A), 6oa7(A), 6owm(A), 6owp(A), 6xt2(A), 7adh(A), 7jqa(A), 7k35(A), 8adh(A).
		3. Ligand: NAI × 7 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB codes: 1p1r(A), 4xd2(A), 5vl0(A), 5vn1(A), 6xt2(A), 7jqa(A), 7k35(A).
		4. Ligand: DMS × 4 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 2jhf(A), 2ohx(A), 2oxi(A), 6adh(A).
		5. Ligand: APR × 1 Adenosine-5-Diphosphoribose PDB code: 5adh(A).
		6. Ligand: PAD × 2 5-Beta-D-Ribofuranosylpicolinamide adenine-Dinucleotide PDB codes: 1a72(A), 1adc(A).
		7. Ligand: CND × 1 5-Beta-D-Ribofuranosylnicotinamide adenine dinucleotide PDB code: 1adb(A).
		8. Ligand: DFB × 2 2,3-Difluorobenzyl alcohol PDB codes: 1mg0(A), 1qv7(A).
		9. Ligand: 24B × 1 (2,4-Difluorophenyl)methanol PDB code: 1qv6(A).
		10. Ligand: MRD × 3 (4r)-2-Methylpentane-2,4-Diol PDB codes: 1het(A), 1heu(A), 1hf3(A).
		11. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1ye3(A), 5adh(A).
		12. Ligand: ETF × 3 Trifluoroethanol PDB codes: 1a71(A), 1axe(A), 1axg(A).
		13. Ligand: IBO × 1 2-Methylpropanamide PDB code: 2jhg(A).
		14. Ligand: PFB × 1 2,3,4,5,6-Pentafluorobenzyl alcohol PDB code: 1mgo(A).
		15. Ligand: NTN × 1 Isonicotinamidine PDB code: 7adh(A).
		16. Ligand: SAD × 1 Beta-Methylene-Selenazole-4-Carboxyamide-Adenine dinucleotide PDB code: 1adg(A).
		17. Ligand: TAD × 1 Beta-Methylene-Thiazole-4-Carboxyamide-Adenine dinucleotide PDB code: 1adf(A).
		18. Ligand: FPI × 1 N-Formylpiperidine PDB code: 1lde(A).
		19. Ligand: SSB × 2 3-Butylthiolane 1-Oxide PDB codes: 1bto(A), 3bto(A).
		20. Ligand: CXF × 1 Cyclohexylformamide PDB code: 1ldy(A).
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Cluster 2 contains 13 ligand types

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Ligand		Description
		1. Ligand: NAD × 4 Nicotinamide-Adenine-Dinucleotide PDB codes: 1axg(A), 1lde(A), 2ohx(A), 2oxi(A).
		2. Ligand: NAI × 1 nadh 1,4-Dihydronicotinamide adenine dinucleotide PDB code: 4xd2(A).
		3. Ligand: PAD × 1 5-Beta-D-Ribofuranosylpicolinamide adenine-Dinucleotide PDB code: 1adc(A).
		4. Ligand: 24B × 1 (2,4-Difluorophenyl)methanol PDB code: 1qv6(A).
		5. Ligand: DFB × 1 2,3-Difluorobenzyl alcohol PDB code: 1mg0(A).
		6. Ligand: SSB × 1 3-Butylthiolane 1-Oxide PDB code: 1bto(A).
		7. Ligand: NMH × 1 (R)-N-(1-Methyl-Hexyl)-Formamide PDB code: 1p1r(A).
		8. Ligand: PFB × 14 2,3,4,5,6-Pentafluorobenzyl alcohol PDB codes: 3oq6(A), 4dwv(A), 4nfh(A), 4ng5(A), 5cdg(A), 5cds(A), 5cdt(A), 5kcp(A), 5kj1(A), 5kj6(A), 5kjc(A), 5kje(A), 6o91(A), 6owm(A).
		9. Ligand: NAJ × 11 Nicotinamide-Adenine-Dinucleotide (acidic form) PDB codes: 4dwv(A), 4nfh(A), 4ng5(A), 5cds(A), 5kcp(A), 5kj1(A), 5kj6(A), 6o91(A), 6oa7(A), 6owm(A), 6owp(A).
		10. Ligand: BNF × 1 N-Benzylformamide PDB code: 5vl0(A).
		11. Ligand: BRB × 1 Para-Bromobenzyl alcohol PDB code: 7jqa(A).
		12. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 6cxx(A).
		13. Ligand: VTG × 1 (4-Methylphenyl)methanol PDB code: 7k35(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: MPD × 3 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1n8k(A), 1n92(A), 1qv6(A).
		2. Ligand: MRD × 21 (4r)-2-Methylpentane-2,4-Diol PDB codes: 3oq6(A), 4dwv(A), 4dxh(A), 4nfh(A), 4nfs(A), 4ng5(A), 4xd2(A), 5cdt(A), 5cdu(A), 5kcp(A), 5kcz(A), 5kj1(A), 5kj6(A), 5kjc(A), 5kje(A), 5kjf(A), 6cxx(A), 6o91(A), 6oa7(A), 6owm(A), 6owp(A).
		3. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 6cxx(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: NTN × 1 Isonicotinamidine PDB code: 7adh(A).
		2. Ligand: MRD × 22 (4r)-2-Methylpentane-2,4-Diol PDB codes: 3oq6(A), 4dwv(A), 4dxh(A), 4nfh(A), 4nfs(A), 4ng5(A), 4xd2(A), 5cdg(A), 5cds(A), 5cdt(A), 5cdu(A), 5kcp(A), 5kcz(A), 5kj1(A), 5kj6(A), 5kjc(A), 5kje(A), 5kjf(A), 6o91(A), 6oa7(A), 6owm(A), 6owp(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: NTN × 1 Isonicotinamidine PDB code: 7adh(A).
		2. Ligand: MRD × 15 (4r)-2-Methylpentane-2,4-Diol PDB codes: 4dwv(A), 4dxh(A), 4nfh(A), 4nfs(A), 4ng5(A), 5kcp(A), 5kcz(A), 5kj1(A), 5kj6(A), 5kjc(A), 5kje(A), 5kjf(A), 6cxx(A), 6o91(A), 6oa7(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: NTN × 2 Isonicotinamidine PDB codes: 7adh(A),
		2. Ligand: MRD × 4 (4r)-2-Methylpentane-2,4-Diol PDB codes: 5cdg(A), 5cds(A), 5kjc(A), 5kjf(A).