Ligand clusters for UniProt code P15121

Ligand clusters for P15121: Aldo-keto reductase family 1 member B1 from Homo sapiens

		Top 6 (of 22) ligand clusters Cluster 1. 88 ligand types 334 ligands Cluster 2. 1 ligand type 3 ligands Cluster 3. 3 ligand types 42 ligands Cluster 4. 3 ligand types 7 ligands Cluster 5. 3 ligand types 6 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 3rx2A

Structures

PDB		Schematic diagram
3rx2A
6y1pA
3ghrA
3ghsA
3ghtA
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Cluster 1 contains 88 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: NAP × 42 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 1ads(A), 1az1(A), 1az2(A), 1ef3(A), 1iei(A), 1mar(A), 1pwl(A), 1pwm(A), 1t41(A), 1x96(A), 1x97(A), 1x98(A), 1z89(A), 1z8a(A), 2acq(A), 2acr(A), 2acs(A), 2acu(A), 2agt(A), 2dux(A), 2duz(A), 2dv0(A), 2fz8(A), 2fz9(A), 2fzb(A), 2fzd(A), 2hv5(A), 2hvn(A), 2hvo(A), 2ikg(A), 2ikh(A), 2iki(A), 2ikj(A), 2ine(A), 2inz(A), 2ipw(A), 2iq0(A), 2iqd(A), 2is7(A), 2isf(A), 2nvc(A), 2nvd(A).
		2. Ligand: NDP × 8 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 1abn(A), 1us0(A), 1z3n(A), 2f2k(A), 2pev(A), 2pf8(A), 2pfh(A), 2qxw(A).
		3. Ligand: CIT × 15 citric acid Citric acid PDB codes: 1az2(A), 1x96(A), 1x98(A), 2acs(A), 2acu(A), 3bcj(A), 3u2c(A), 6f7r(A), 6f81(A), 6f82(A), 6f84(A), 6f8o(A), 6t27(A), 6t5g(A), 6y03(A).
		4. Ligand: PAC × 2 phenylacetic acid 2-Phenylacetic acid PDB codes: 2ine(A), 2isf(A).
		5. Ligand: SUZ × 2 sulindac [(1z)-5-Fluoro-2-Methyl-1-{4- [Methylsulfinyl]benzylidene}-1h-Inden-3-Yl]acetic acid PDB codes: 3rx3(A), 3u2c(A).
		6. Ligand: LPA × 1 lipoic acid Lipoic acid PDB code: 2iqd(A).
		7. Ligand: NTI × 1 nitazoxanide 2-[(5-Nitro-1,3-Thiazol-2-Yl)carbamoyl]phenyl acetate PDB code: 3v35(A).
		8. Ligand: TLT × 1 tolmetin Tolmetin PDB code: 3s3g(A).
		9. Ligand: G6P × 1 6-O-Phosphono-Alpha-D-Glucopyranose PDB code: 2acq(A).
		10. Ligand: 6NA × 1 Hexanoic acid PDB code: 2iq0(A).
		11. Ligand: OHP × 1 (2-Hydroxyphenyl)acetic acid PDB code: 2inz(A).
		12. Ligand: 2CL × 2 (2,6-Dichlorophenyl)acetic acid PDB codes: 2ipw(A), 2is7(A).
		13. Ligand: FID × 6 (2s,4s)-2-Aminoformyl-6-Fluoro-Spiro[chroman-4,4'- Imidazolidine]-2',5'-Dione PDB codes: 1ef3(A), 1pwm(A), 2agt(A), 2pev(A), 2pf8(A), 2pfh(A).
		14. Ligand: FIS × 1 (2s,4r)-2-Aminoformyl-6-Fluoro-Spiro[chroman-4,4'- Imidazolidine]-2',5'-Dione PDB code: 1x98(A).
		15. Ligand: FIR × 1 (2r,4s)-2-Aminoformyl-6-Fluoro-Spiro[chroman-4,4'- Imidazolidine]-2',5'-Dione PDB code: 1x97(A).
		16. Ligand: BTO × 1 4-[3-(3-Nitrophenyl)-1,2,4-Oxadiazol-5-Yl]butanoic acid PDB code: 2ikg(A).
		17. Ligand: ITA × 1 {4-[(Carboxymethoxy)carbonyl]-3,3-Dioxido-1- Oxonaphtho[1,2-D]isothiazol-2(1h)-Yl}acetic acid PDB code: 2nvc(A).
		18. Ligand: TGG × 1 Gamma-Glutamyl-S-(1,2-Dicarboxyethyl)cysteinylglycine PDB code: 2f2k(A).
		19. Ligand: LDT × 5 Idd594 PDB codes: 1us0(A), 2pev(A), 2pf8(A), 2pfh(A), 2qxw(A).
		20. Ligand: 393 × 1 (5-Chloro-2-{[(3-Nitrobenzyl)amino]carbonyl}phenoxy) acetic acid PDB code: 2ikj(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: NAP × 3 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 3q65(A), 3q67(A), 5ha7(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: CIT × 40 citric acid Citric acid PDB codes: 1us0(A), 1x96(A), 2agt(A), 2i16(A), 2i17(A), 2pev(A), 2pf8(A), 2pfh(A), 2qxw(A), 3ghr(A), 3ghs(A), 3ght(A), 3ghu(A), 3lbo(A), 3ld5(A), 3lep(A), 3lql(A), 3lz3(A), 3lz5(A), 3m4h(A), 3onb(A), 3onc(A), 3t42(A), 4puw(A), 4qbx(A), 6f7r(A), 6f81(A), 6f82(A), 6f84(A), 6syw(A), 6t27(A), 6t3p(A), 6t5g(A), 6t7q(A), 6td8(A), 6tuc(A), 6tuf(A), 6txp(A), 6xum(A), 6y1p(A).
		2. Ligand: FLC × 1 Citrate anion PDB code: 2j8t(A).
		3. Ligand: PG5 × 1 1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane PDB code: 3u2c(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3q65(A).
		2. Ligand: ITB × 2 2-(Carboxymethyl)-1-Oxo-1,2-Dihydronaphtho[1,2- D]isothiazole-4-Carboxylic acid 3,3-Dioxide PDB codes: 2nvd(A),
		3. Ligand: SO4 × 4 Sulfate ion PDB codes: 3q65(A), 3q67(A), 5ha7(A),

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 3q65(A), 3q67(A), 5ha7(A).
		2. Ligand: DMF × 2 Dimethylformamide PDB codes: 3v35(A),
		3. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 3u2c(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMF × 1 Dimethylformamide PDB code: 3v35(A).
		2. Ligand: PG5 × 1 1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane PDB code: 3u2c(A).