Ligand clusters for UniProt code P02766

Ligand clusters for P02766: Transthyretin from Homo sapiens

		Top 6 (of 20) ligand clusters Cluster 1. 168 ligand types 253 ligands Cluster 2. 11 ligand types 35 ligands Cluster 3. 11 ligand types 60 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 4 ligands
Representative protein: 1eta1

Structures

PDB		Schematic diagram
1eta1
1tyrA
5ezpE
1tlmA
1etb1
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Cluster 1 contains 168 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 15 glycerin Glycerol PDB codes: 1e4h(A), 1tt6(A), 1tz8(A), 3a4e(A), 3a4f(A), 3grb(A), 3grg(A), 3ng5(A), 4tls(A), 4tqp(A), 5clx(A), 5cly(A), 6e76(A),
		2. Ligand: T44 × 8 levothyroxine 3,5,3',5'-Tetraiodo-L-Thyronine PDB codes: 1eta(1), 1etb(1), 1f86(A), 1ict(A), 2rox(A), 3ozk(A), 5cr1(A).
		3. Ligand: 3MI × 7 tafamidis 2-(3,5-Dichlorophenyl)-1,3-Benzoxazole-6-Carboxylic acid PDB codes: 3tct(A), 4his(A), 6e6z(A), 6e72(A), 6e74(A), 6e77(A), 6fft(A).
		4. Ligand: 1FL × 6 diflunisal 5-(2,4-Difluorophenyl)-2-Hydroxy-Benzoic acid PDB codes: 3d2t(A), 4i89(A), 6e70(A), 6e73(A), 6e78(A).
		5. Ligand: SUZ × 6 sulindac [(1z)-5-Fluoro-2-Methyl-1-{4- [Methylsulfinyl]benzylidene}-1h-Inden-3-Yl]acetic acid PDB codes: 4ikj(A), 4ikk(A), 4ikl(A),
		6. Ligand: TCW × 5 tolcapone Tolcapone PDB codes: 4d7b(A), 5a6i(A), 6txv(A), 6txw(A), 6xtk(A).
		7. Ligand: DES × 2 diethylstilbestrol Diethylstilbestrol PDB codes: 1tt6(A), 1tz8(A).
		8. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4wns(A), 5e23(A).
		9. Ligand: FLF × 2 flufenamic acid 2-[[3-(Trifluoromethyl)phenyl]amino] benzoic acid PDB codes: 1bm7(A), 3ozl(A).
		10. Ligand: IMN × 2 indomethacin Indomethacin PDB codes: 4ik7(A), 4iki(A).
		11. Ligand: LUR × 2 lumiracoxib {2-[(2-Chloro-6-Fluorophenyl)amino]-5- Methylphenyl}acetic acid PDB codes: 4iiz(A), 4ik6(A).
		12. Ligand: 30Z × 1 masoprocol 4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2- Methylbutyl]benzene-1,2-Diol PDB code: 4pwj(A).
		13. Ligand: 4TX × 1 gemfibrozil 5-(2,5-Dimethylphenoxy)-2,2-Dimethylpentanoic acid PDB code: 5boj(A).
		14. Ligand: 9CR × 1 alitretinoin (9cis)-Retinoic acid PDB code: 1tyr(A).
		15. Ligand: DIF × 1 diclofenac 2-[2,6-Dichlorophenyl)amino]benzeneacetic acid PDB code: 3cfq(A).
		16. Ligand: FLP × 1 flurbiprofen Flurbiprofen PDB code: 1dvt(A).
		17. Ligand: MIL × 1 milrinone Milrinone PDB code: 1tlm(A).
_Fe		18. Metal: _FE × 1 PDB code: 5n5q(A).
		19. Ligand: ACT × 5 Acetate ion PDB codes: 3did(A), 3do4(A), 3gps(A), 5llv(A), 6e73(A).
		20. Ligand: BME-BME × 3 BME=Beta-Mercaptoethanol. PDB codes: 1iii(A), 1iik(A), 1ijn(A).
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Cluster 2 contains 11 ligand types

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Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 3nee(A), 3nex(A), 4der(A).
_Mg		2. Metal: _MG × 1 PDB code: 4tlt(A).
_Mn		3. Metal: _MN × 1 PDB code: 5n62(A).
_Zn		4. Metal: _ZN × 1 PDB code: 3dgd(A).
_Na		5. Metal: _NA × 14 PDB codes: 4pme(A), 4pmf(A), 4qxv(A), 4qya(A), 5boj(A), 5en3(A), 5hjg(A), 5ihh(A), 5jiq(A), 5l4f(A), 5l4i(A), 5l4j(A), 5l4m(A), 6grp(A).
_Ca		6. Metal: _CA × 9 PDB codes: 4mrb(A), 4mrc(A), 4n85(A), 4n86(A), 4pwh(A), 5dej(A), 6e70(A), 6kgb(A).
		7. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4deu(A), 5k1j(A).
		8. Ligand: 3M2 × 1 (5z)-2-Amino-5-(3,5-Dibromo-4-Hydroxybenzylidene)-1- Methyl-1,5-Dihydro-4h-Imidazol-4-One PDB code: 3p3s(A).
		9. Ligand: ACT × 1 Acetate ion PDB code: 6e75(A).
		10. Ligand: DM7 × 1 4'-Deoxy-4'-Iododoxorubicin PDB code: 1f64(A).
_Cl		11. Metal: _CL × 1 PDB code: 4tlu(A).

Cluster 3 contains 11 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 12 PDB codes: 3dgd(A), 3did(A), 3gps(A), 3grb(A), 3grg(A), 3ssg(A),
		2. Ligand: GOL × 7 glycerin Glycerol PDB codes: 1e4h(A), 3a4f(A), 3dgd(A), 3gps(A), 3grb(A), 3nes(A), 4tqi(A).
		3. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4wnj(A), 5k1j(A).
		4. Ligand: SO4 × 18 Sulfate ion PDB codes: 1tt6(A), 2b15(A), 2h4e(A), 2rox(A), 3a4d(A), 3a4e(A), 3a4f(A), 4wns(A), 5aks(A), 5akt(A), 5al0(A), 6e76(A).
		5. Ligand: ACT × 8 Acetate ion PDB codes: 1tz8(A), 3dgd(A), 3did(A), 3do4(A), 3gps(A), 3grg(A), 6e76(A).
		6. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 4deu(A), 5k1j(A), 5n7c(A).
		7. Ligand: PO4 × 4 Phosphate ion PDB codes: 4tls(A), 6r6i(A),
		8. Ligand: CAC × 1 Cacodylate ion PDB code: 3ssg(A).
		9. Ligand: KDH × 1 (2r,3r)-5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-3,4- Dihydro-2h-Chromen-3-Yl 3,4,5- Trihydroxybenzoate PDB code: 3ng5(A).
		10. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4tlk(A).
_Cu		11. Metal: _CU × 1 PDB code: 5n7c(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: REA × 1 tretinoin Retinoic acid PDB code: 1rlb(A).
		2. Ligand: RTL × 1 vitamin a Retinol PDB code: 1qab(B).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: KDH × 1 (2r,3r)-5,7-Dihydroxy-2-(3,4,5-Trihydroxyphenyl)-3,4- Dihydro-2h-Chromen-3-Yl 3,4,5- Trihydroxybenzoate PDB code: 3ng5(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 3 Acetate ion PDB codes: 5k1j(A), 5k1n(A), 5n5q(A).
		2. Ligand: AJU × 1 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16- Benzohexaoxacyclooctadecine-18-Carboxylic acid PDB code: 6imy(A).