Ligand clusters for UniProt code P02754

Ligand clusters for P02754: Beta-lactoglobulin from Bos taurus

		Top 6 (of 14) ligand clusters Cluster 1. 29 ligand types 50 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 5 ligand types 9 ligands Cluster 4. 2 ligand types 3 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 3 ligands
Representative protein: 1bsoA

Structures

PDB		Schematic diagram
1bsoA
6nkqB
4ib6A
5y5cA
6rytB
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Cluster 1 contains 29 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: PLM × 4 palmitic acid Palmitic acid PDB codes: 1b0o(A), 1gxa(A), 3uew(A), 6qi7(A).
		2. Ligand: Z80 × 4 chlorpromazine 3-(2-Chloro-10h-Phenothiazin-10-Yl)-N,N-Dimethylpropan- 1-Amine PDB codes: 5nuj(A), 5nuk(A), 5num(A), 5nun(A).
		3. Ligand: DAO × 2 lauric acid Lauric acid PDB codes: 3ueu(A), 4ib6(A).
		4. Ligand: HXA × 2 doconexent Docosa-4,7,10,13,16,19-Hexaenoic acid PDB codes: 5y5c(A),
		5. Ligand: PX9 × 2 pramocaine Pramocaine PDB codes: 4y0q(A), 4y0r(A).
		6. Ligand: EIC × 1 linoleic acid Linoleic acid PDB code: 4dq4(A).
		7. Ligand: GOL × 1 glycerin Glycerol PDB code: 6qpd(A).
		8. Ligand: REA × 1 tretinoin Retinoic acid PDB code: 1gx9(A).
		9. Ligand: RTL × 1 vitamin a Retinol PDB code: 1gx8(A).
		10. Ligand: STE × 1 stearic acid Stearic acid PDB code: 3uex(A).
		11. Ligand: TE4 × 1 tetracaine Tetracaine PDB code: 4y0p(A).
		12. Ligand: VD3 × 1 cholecalciferol (1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-Methyl-1-[(2r)-6- Methylheptan-2-Yl]-2,3,3a,5,6,7-Hexahydro-1h- Inden-4- Ylidene]ethylidene]-4-Methylidene-Cyclohexan-1-Ol PDB code: 2gj5(A).
		13. Ligand: MYR × 8 Myristic acid PDB codes: 3uev(A), 5htd(A), 5k06(A), 5lke(A), 5lkf(A), 6rwp(A), 6rwq(A), 6rwr(A).
		14. Ligand: SDS × 4 Dodecyl sulfate PDB codes: 4gny(A), 4ib8(A), 4iba(A), 7kot(A).
		15. Ligand: CAT × 2 Dodecane-Trimethylamine PDB codes: 4ib7(A), 4ib9(A).
		16. Ligand: PO4 × 2 Phosphate ion PDB codes: 5nuk(A), 6ryt(B).
		17. Ligand: BRC × 1 12-Bromododecanoic acid PDB code: 1bso(A).
		18. Ligand: D12 × 1 Dodecane PDB code: 5io7(A).
		19. Ligand: DE1 × 1 Decan-1-Ol PDB code: 5eee(A).
		20. Ligand: DKA × 1 Decanoic acid PDB code: 3nq3(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: VD3 × 1 cholecalciferol (1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-Methyl-1-[(2r)-6- Methylheptan-2-Yl]-2,3,3a,5,6,7-Hexahydro-1h- Inden-4- Ylidene]ethylidene]-4-Methylidene-Cyclohexan-1-Ol PDB code: 2gj5(A).

Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 6qi6(A), 6qi7(A), 6rwq(A).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 5nuk(A), 6qpd(A), 6rwp(A).
		3. Ligand: ACT × 1 Acetate ion PDB code: 6qpe(A).
		4. Ligand: PO4 × 1 Phosphate ion PDB code: 5num(A).
_Cl		5. Metal: _CL × 1 PDB code: 6gfs(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5nuk(A), 6qpd(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6qi7(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SIN × 1 succinic acid Succinic acid PDB code: 5k06(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
_Zn		1. Metal: _ZN × 2 PDB codes: 4lzu(A), 4lzv(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6ryt(A).