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Table 4 Binding properties of ergothioneine and selected standards (sulfogalactosylceramide and sulfogalactoglycerolipid

From: Molecular docking and experimental validation of the effect of ergothioneine on heat shock protein-70 following endurance exercise by Arabian stallions

Ligands

Binding affinity

6LU7 Receptor

amino acids forming H-bond with ligands

Electrostatic/ Hydrophobic interactions involved

Inhibition Constant

Ergothioneine

-4.8

His227, Asp232

Arg72, Asp69, Glu231

304.1

Sulfogalactosylceramide

-6.0

Arg264, Asn235,

Ser254

Trp90, His89, Glu231, Lys257

40.2

Sulfogalactoglycerolipid

-6.8

Asp292, His227, Glu231, Arg72

Asn235

20.4

  1. Trp Tryptophan, His Histidine, Asp Aspartate, Glu Glutamate, Arg Arginine, Ser Serine, Ans Asparagine, Lys Lysine
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BMC Veterinary Research

ISSN: 1746-6148

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